5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

C65H68F3N15O13S5 — CID 161340764

IUPAC5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SMILESCCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncnc(C)c23)c1F.CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncnc(C)c23)c1F.CCN(C)S(=O)(=O)Nc1cccc(C(O)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncnc(C)c23)c1F
InChIInChI=1S/C24H26FN5O5S2.C24H24FN5O5S2.C17H18FN5O3S/c2*1-5-29(4)37(34,35)28-20-8-6-7-18(22(20)25)23(31)19-13-30(24-21(19)16(3)26-14-27-24)36(32,33)17-11-9-15(2)10-12-17;1-4-23(3)27(25,26)22-13-7-5-6-11(15(13)18)16(24)12-8-19-17-14(12)10(2)20-9-21-17/h6-14,23,28,31H,5H2,1-4H3;6-14,28H,5H2,1-4H3;5-9,22H,4H2,1-3H3,(H,19,20,21)
InChIKeyVMQBJVVVMGNUMN-UHFFFAOYSA-N
MW1484.68 g/mol
LogP8.62
Rot. Bonds22

About 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine (PubChem CID 161340764) has the molecular formula C65H68F3N15O13S5 and a molecular weight of 1484.68 g/mol. Its IUPAC name is 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
PubChem CID161340764
Molecular FormulaC65H68F3N15O13S5
Molecular Weight1484.68 g/mol
Exact Mass1483.37
IUPAC Name5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SMILESCCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncnc(C)c23)c1F.CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncnc(C)c23)c1F.CCN(C)S(=O)(=O)Nc1cccc(C(O)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncnc(C)c23)c1F
InChIInChI=1S/C24H26FN5O5S2.C24H24FN5O5S2.C17H18FN5O3S/c2*1-5-29(4)37(34,35)28-20-8-6-7-18(22(20)25)23(31)19-13-30(24-21(19)16(3)26-14-27-24)36(32,33)17-11-9-15(2)10-12-17;1-4-23(3)27(25,26)22-13-7-5-6-11(15(13)18)16(24)12-8-19-17-14(12)10(2)20-9-21-17/h6-14,23,28,31H,5H2,1-4H3;6-14,28H,5H2,1-4H3;5-9,22H,4H2,1-3H3,(H,19,20,21)
InChIKeyVMQBJVVVMGNUMN-UHFFFAOYSA-N
XLogP8.62
TPSA373.87 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.68
LogP ≤ 58.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

N-[3-[4-(cyclopropylmethylamino)-5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 58316894
2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;2-(1,5-dihydropyrrolo[2,3-b]pyridin-5-ylium-4-yl)ethynyl-trimethylsilane;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride
CID 157668616
N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(5H-pyrrolo[2,3-b]pyrazin-7-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;5H-pyrrolo[2,3-b]pyrazin-4-ium
CID 158595224
N-(2-fluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;7H-pyrrolo[2,3-d]pyrimidine
CID 158764109
N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[hydroxy(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide;6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium
CID 159480546
magnesium;4-chloro-6,7-dihydropyrrolo[2,3-d]pyrimidin-6-ylium;cyclopropane;4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine;N-[3-(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;bromide
CID 159513489
N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1,5-dihydropyrrolo[2,3-b]pyridin-5-ylium-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride
CID 159715762
N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;1H-pyrrolo[2,3-b]pyridine-4-carbonitrile;4-(trifluoromethyl)benzenesulfonyl chloride
CID 159789324
2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide;N-(2,4-difluorophenyl)-4-(trifluoromethyl)benzenesulfonamide;N-[3-(4-ethynyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[3-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide;4-(trifluoromethyl)benzenesulfonyl chloride;trimethyl-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]silane
CID 160933889
3-[3-[2,6-difluoro-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-ethylpropanamide;3-[3-[2,6-difluoro-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanoic acid;methyl 3-[3-[2,6-difluoro-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanoate;methyl (E)-3-[3-[2,6-difluoro-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]prop-2-enoate
CID 161931546
[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanol;[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone;(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[2-(2-fluorophenyl)ethyl]-3-pyridinyl]methanone
CID 123479910
N-(3-acetyl-4-fluorophenyl)propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-fluorophenyl]propane-1-sulfonamide;N-(4-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[4-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-5-(propylsulfonylamino)benzoic acid
CID 123513771

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine (CID 161340764) is 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine is CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncnc(C)c23)c1F.CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncnc(C)c23)c1F.CCN(C)S(=O)(=O)Nc1cccc(C(O)c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncnc(C)c23)c1F.
What is the InChIKey of 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The InChIKey is VMQBJVVVMGNUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5S2.C24H24FN5O5S2.C17H18FN5O3S/c2*1-5-29(4)37(34,35)28-20-8-6-7-18(22(20)25)23(31)19-13-30(24-21(19)16(3)26-14-27-24)36(32,33)17-11-9-15(2)10-12-17;1-4-23(3)27(25,26)22-13-7-5-6-11(15(13)18)16(24)12-8-19-17-14(12)10(2)20-9-21-17/h6-14,23,28,31H,5H2,1-4H3;6-14,28H,5H2,1-4H3;5-9,22H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine has a molecular weight of 1484.68 g/mol, XLogP of 8.62, 22 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;5-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorobenzoyl]-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-hydroxymethyl]-4-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 161340764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).