5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

C43H46Cl2F2N8O6S2 — CID 87089654

IUPAC5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccnn2C)ccc1F.Cc1nc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(F)c(C(=O)NC(C)C)c2)cn1C
InChIInChI=1S/C22H24ClFN4O3S.C21H22ClFN4O3S/c1-14(2)25-22(29)19-11-18(9-10-20(19)24)28(12-16-5-7-17(23)8-6-16)32(30,31)21-13-27(4)15(3)26-21;1-14(2)25-21(28)18-12-17(8-9-19(18)23)27(13-15-4-6-16(22)7-5-15)31(29,30)20-10-11-24-26(20)3/h5-11,13-14H,12H2,1-4H3,(H,25,29);4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyKKINVKXEOGYGSQ-UHFFFAOYSA-N
MW943.93 g/mol
LogP7.80
Rot. Bonds14

About 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 87089654) has the molecular formula C43H46Cl2F2N8O6S2 and a molecular weight of 943.93 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
PubChem CID87089654
Molecular FormulaC43H46Cl2F2N8O6S2
Molecular Weight943.93 g/mol
Exact Mass942.23
IUPAC Name5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccnn2C)ccc1F.Cc1nc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(F)c(C(=O)NC(C)C)c2)cn1C
InChIInChI=1S/C22H24ClFN4O3S.C21H22ClFN4O3S/c1-14(2)25-22(29)19-11-18(9-10-20(19)24)28(12-16-5-7-17(23)8-6-16)32(30,31)21-13-27(4)15(3)26-21;1-14(2)25-21(28)18-12-17(8-9-19(18)23)27(13-15-4-6-16(22)7-5-15)31(29,30)20-10-11-24-26(20)3/h5-11,13-14H,12H2,1-4H3,(H,25,29);4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyKKINVKXEOGYGSQ-UHFFFAOYSA-N
XLogP7.80
TPSA168.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.93
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide with MolForge

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Related Compounds

5-[benzenesulfonyl(benzyl)amino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(4-fluorophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[benzyl-(1-methylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 87089724
3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-propan-2-ylbenzamide
CID 46182411
5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182359
(2R)-2-[(4-chlorophenyl)methyl-[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100680899
(2S)-2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100666732
3-[(4-chlorophenyl)methyl-(1-methylimidazol-4-yl)sulfonylamino]-N-cyclobutylbenzamide
CID 66648351
(2R)-2-[[2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 125047202
(2S)-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100679578
3-[(4-chlorophenyl)methyl-(1-methylpyrazol-3-yl)sulfonylamino]-N-methylbenzamide
CID 66648490
2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126415485
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132694705
tert-butyl 3-[(4-chlorophenyl)methyl-(1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 68618788

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (CID 87089654) is 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccnn2C)ccc1F.Cc1nc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(F)c(C(=O)NC(C)C)c2)cn1C.
What is the InChIKey of 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is KKINVKXEOGYGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O3S.C21H22ClFN4O3S/c1-14(2)25-22(29)19-11-18(9-10-20(19)24)28(12-16-5-7-17(23)8-6-16)32(30,31)21-13-27(4)15(3)26-21;1-14(2)25-21(28)18-12-17(8-9-19(18)23)27(13-15-4-6-16(22)7-5-15)31(29,30)20-10-11-24-26(20)3/h5-11,13-14H,12H2,1-4H3,(H,25,29);4-12,14H,13H2,1-3H3,(H,25,28).
What are the key properties of 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 943.93 g/mol, XLogP of 7.80, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide;5-[(4-chlorophenyl)methyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 87089654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).