3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

C21H19FN2O3S — CID 9409977

IUPAC3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c1-15(16-10-12-18(22)13-11-16)23-21(25)17-6-5-7-19(14-17)24-28(26,27)20-8-3-2-4-9-20/h2-15,24H,1H3,(H,23,25)/t15-/m0/s1
InChIKeyZBTAGZDOAKALPD-HNNXBMFYSA-N
MW398.46 g/mol
LogP4.12
Rot. Bonds6

About 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 9409977) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID9409977
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c1-15(16-10-12-18(22)13-11-16)23-21(25)17-6-5-7-19(14-17)24-28(26,27)20-8-3-2-4-9-20/h2-15,24H,1H3,(H,23,25)/t15-/m0/s1
InChIKeyZBTAGZDOAKALPD-HNNXBMFYSA-N
XLogP4.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9410285
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657574
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24635649
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (CID 9409977) is 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is ZBTAGZDOAKALPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-15(16-10-12-18(22)13-11-16)23-21(25)17-6-5-7-19(14-17)24-28(26,27)20-8-3-2-4-9-20/h2-15,24H,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 9409977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).