2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide

C13H19ClN2O3S — CID 47062335

IUPAC2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O3S/c1-4-7-16(9-13(17)15-3)20(18,19)12-6-5-11(14)8-10(12)2/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)
InChIKeySKXNCVDCFGWKQA-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.80
Rot. Bonds6

About 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide

2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide (PubChem CID 47062335) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide
PubChem CID47062335
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O3S/c1-4-7-16(9-13(17)15-3)20(18,19)12-6-5-11(14)8-10(12)2/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)
InChIKeySKXNCVDCFGWKQA-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide (CID 47062335) is 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide?
The InChIKey is SKXNCVDCFGWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-7-16(9-13(17)15-3)20(18,19)12-6-5-11(14)8-10(12)2/h5-6,8H,4,7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide?
2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide has a molecular weight of 318.83 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 47062335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).