2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide

C16H22ClNO3S — CID 53328383

IUPAC2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3S/c1-16(2,15(19)18-13-6-4-3-5-7-13)22(20,21)14-10-8-12(17)9-11-14/h8-11,13H,3-7H2,1-2H3,(H,18,19)
InChIKeyKBLIZLFANYQZAB-UHFFFAOYSA-N
MW343.88 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide

2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide (PubChem CID 53328383) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide
PubChem CID53328383
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3S/c1-16(2,15(19)18-13-6-4-3-5-7-13)22(20,21)14-10-8-12(17)9-11-14/h8-11,13H,3-7H2,1-2H3,(H,18,19)
InChIKeyKBLIZLFANYQZAB-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide (CID 53328383) is 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide is CC(C)(C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide?
The InChIKey is KBLIZLFANYQZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3S/c1-16(2,15(19)18-13-6-4-3-5-7-13)22(20,21)14-10-8-12(17)9-11-14/h8-11,13H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide?
2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide has a molecular weight of 343.88 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 53328383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).