3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide

C14H21ClN2O3S — CID 17225690

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-3-12(4-2)17-14(18)9-10-16-21(19,20)13-7-5-11(15)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyRDZMLCXQHDODAZ-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.31
Rot. Bonds8

About 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide

3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide (PubChem CID 17225690) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
PubChem CID17225690
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-3-12(4-2)17-14(18)9-10-16-21(19,20)13-7-5-11(15)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyRDZMLCXQHDODAZ-UHFFFAOYSA-N
XLogP2.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 17411620
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
3-[(4-chlorophenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
CID 24543595
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482091
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
3-[(4-chlorophenyl)sulfonylamino]-N-[(1S)-2-(dimethylamino)-1-phenylethyl]propanamide
CID 8937587
N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide
CID 4165843
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide (CID 17225690) is 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide?
The InChIKey is RDZMLCXQHDODAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-12(4-2)17-14(18)9-10-16-21(19,20)13-7-5-11(15)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide has a molecular weight of 332.85 g/mol, XLogP of 2.31, 8 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-pentan-3-ylpropanamide is sourced from PubChem (CID 17225690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).