4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide

C22H21ClN2O3S — CID 28564561

IUPAC4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1
InChIInChI=1S/C22H21ClN2O3S/c1-2-21(16-9-5-3-6-10-16)24-22(26)19-14-13-17(15-20(19)23)25-29(27,28)18-11-7-4-8-12-18/h3-15,21,25H,2H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeySKZKPUDGVGVABZ-NRFANRHFSA-N
MW428.94 g/mol
LogP5.02
Rot. Bonds7

About 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide (PubChem CID 28564561) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
PubChem CID28564561
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1
InChIInChI=1S/C22H21ClN2O3S/c1-2-21(16-9-5-3-6-10-16)24-22(26)19-14-13-17(15-20(19)23)25-29(27,28)18-11-7-4-8-12-18/h3-15,21,25H,2H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeySKZKPUDGVGVABZ-NRFANRHFSA-N
XLogP5.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132673292
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132674716
4-(benzenesulfonamido)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93486708
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191557
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-(benzenesulfonamido)-2-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94013074
2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92680132
5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 30390651

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide (CID 28564561) is 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide is CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide?
The InChIKey is SKZKPUDGVGVABZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-2-21(16-9-5-3-6-10-16)24-22(26)19-14-13-17(15-20(19)23)25-29(27,28)18-11-7-4-8-12-18/h3-15,21,25H,2H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide has a molecular weight of 428.94 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide is sourced from PubChem (CID 28564561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).