N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide

C19H20F2N2O5S2 — CID 26001300

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O5S2/c1-12(17-7-4-14(20)10-18(17)21)22-19(24)13-2-5-16(6-3-13)30(27,28)23-15-8-9-29(25,26)11-15/h2-7,10,12,15,23H,8-9,11H2,1H3,(H,22,24)/t12-,15+/m1/s1
InChIKeyJGGFAOIMYLXNJA-DOMZBBRYSA-N
MW458.51 g/mol
LogP1.92
Rot. Bonds6

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide (PubChem CID 26001300) has the molecular formula C19H20F2N2O5S2 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide
PubChem CID26001300
Molecular FormulaC19H20F2N2O5S2
Molecular Weight458.51 g/mol
Exact Mass458.08
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O5S2/c1-12(17-7-4-14(20)10-18(17)21)22-19(24)13-2-5-16(6-3-13)30(27,28)23-15-8-9-29(25,26)11-15/h2-7,10,12,15,23H,8-9,11H2,1H3,(H,22,24)/t12-,15+/m1/s1
InChIKeyJGGFAOIMYLXNJA-DOMZBBRYSA-N
XLogP1.92
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide with MolForge

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Related Compounds

4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26003595
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24640055
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
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4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609
4-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 8782191
N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43036891
N-[1-(2,4-difluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55337082
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
4-(2,5-dimethylpyrrol-1-yl)-N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]benzamide
CID 40796098

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide (CID 26001300) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide is C[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide?
The InChIKey is JGGFAOIMYLXNJA-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H20F2N2O5S2/c1-12(17-7-4-14(20)10-18(17)21)22-19(24)13-2-5-16(6-3-13)30(27,28)23-15-8-9-29(25,26)11-15/h2-7,10,12,15,23H,8-9,11H2,1H3,(H,22,24)/t12-,15+/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide has a molecular weight of 458.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 26001300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).