(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide

C22H22ClN3O5S2 — CID 28561823

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O5S2/c23-18-8-12-20(13-9-18)33(30,31)26-21(14-16-4-2-1-3-5-16)22(27)25-15-17-6-10-19(11-7-17)32(24,28)29/h1-13,21,26H,14-15H2,(H,25,27)(H2,24,28,29)/t21-/m0/s1
InChIKeyLOSVCPCEXILXKG-NRFANRHFSA-N
MW508.02 g/mol
LogP2.19
Rot. Bonds9

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 28561823) has the molecular formula C22H22ClN3O5S2 and a molecular weight of 508.02 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID28561823
Molecular FormulaC22H22ClN3O5S2
Molecular Weight508.02 g/mol
Exact Mass507.07
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O5S2/c23-18-8-12-20(13-9-18)33(30,31)26-21(14-16-4-2-1-3-5-16)22(27)25-15-17-6-10-19(11-7-17)32(24,28)29/h1-13,21,26H,14-15H2,(H,25,27)(H2,24,28,29)/t21-/m0/s1
InChIKeyLOSVCPCEXILXKG-NRFANRHFSA-N
XLogP2.19
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.02
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 41374475
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 43874767
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874789
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874784
(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40601003
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827
(2R)-N-[(4-carbamimidoylphenyl)methyl]-2-[(4-carbamimidoylphenyl)sulfonylamino]-3-phenylpropanamide
CID 71449612
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
CID 2539497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 28561823) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is LOSVCPCEXILXKG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22ClN3O5S2/c23-18-8-12-20(13-9-18)33(30,31)26-21(14-16-4-2-1-3-5-16)22(27)25-15-17-6-10-19(11-7-17)32(24,28)29/h1-13,21,26H,14-15H2,(H,25,27)(H2,24,28,29)/t21-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 508.02 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 28561823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).