3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide

C14H21ClN2O3S — CID 3243847

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-11(2)7-9-16-14(18)8-10-17-21(19,20)13-5-3-12(15)4-6-13/h3-6,11,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyGYFZOQVNKBNTDX-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.17
Rot. Bonds8

About 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide (PubChem CID 3243847) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
PubChem CID3243847
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-11(2)7-9-16-14(18)8-10-17-21(19,20)13-5-3-12(15)4-6-13/h3-6,11,17H,7-10H2,1-2H3,(H,16,18)
InChIKeyGYFZOQVNKBNTDX-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide (CID 3243847) is 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is GYFZOQVNKBNTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(2)7-9-16-14(18)8-10-17-21(19,20)13-5-3-12(15)4-6-13/h3-6,11,17H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 332.85 g/mol, XLogP of 2.17, 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 3243847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).