N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide

C22H21ClN2O3S — CID 17178995

IUPACN-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c23-21-9-5-4-8-18(21)10-15-22(26)25-19-11-13-20(14-12-19)29(27,28)24-16-17-6-2-1-3-7-17/h1-9,11-14,24H,10,15-16H2,(H,25,26)
InChIKeyOJXWFFFCEYYRHD-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.39
Rot. Bonds8

About N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide

N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide (PubChem CID 17178995) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
PubChem CID17178995
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c23-21-9-5-4-8-18(21)10-15-22(26)25-19-11-13-20(14-12-19)29(27,28)24-16-17-6-2-1-3-7-17/h1-9,11-14,24H,10,15-16H2,(H,25,26)
InChIKeyOJXWFFFCEYYRHD-UHFFFAOYSA-N
XLogP4.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide
CID 17160967
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
N-[4-(benzylsulfamoyl)phenyl]octanamide
CID 4958608
3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 29252079
2-(2-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 18159807
3-(2-chlorophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108802323
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide (CID 17178995) is N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide is O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide?
The InChIKey is OJXWFFFCEYYRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c23-21-9-5-4-8-18(21)10-15-22(26)25-19-11-13-20(14-12-19)29(27,28)24-16-17-6-2-1-3-7-17/h1-9,11-14,24H,10,15-16H2,(H,25,26).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide?
N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide has a molecular weight of 428.94 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 17178995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).