3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide

C18H21ClN2O3S — CID 9246818

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
SMILESCC(C)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)14-4-3-5-16(12-14)21-18(22)10-11-20-25(23,24)17-8-6-15(19)7-9-17/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyPCLXNHYQDTWPDE-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.77
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide (PubChem CID 9246818) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
PubChem CID9246818
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
SMILESCC(C)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)14-4-3-5-16(12-14)21-18(22)10-11-20-25(23,24)17-8-6-15(19)7-9-17/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyPCLXNHYQDTWPDE-UHFFFAOYSA-N
XLogP3.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 17225616
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
N-(3-acetamido-4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24666799
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide (CID 9246818) is 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide is CC(C)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide?
The InChIKey is PCLXNHYQDTWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(2)14-4-3-5-16(12-14)21-18(22)10-11-20-25(23,24)17-8-6-15(19)7-9-17/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 9246818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).