4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide

C13H17NO3S — CID 10587907

IUPAC4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC(=O)C2)cc1
InChIInChI=1S/C13H17NO3S/c1-10-5-7-13(8-6-10)18(16,17)14-11-3-2-4-12(15)9-11/h5-8,11,14H,2-4,9H2,1H3
InChIKeyPRTXHIDCJAPMMJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.79
Rot. Bonds3

About 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide

4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide (PubChem CID 10587907) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide
PubChem CID10587907
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC(=O)C2)cc1
InChIInChI=1S/C13H17NO3S/c1-10-5-7-13(8-6-10)18(16,17)14-11-3-2-4-12(15)9-11/h5-8,11,14H,2-4,9H2,1H3
InChIKeyPRTXHIDCJAPMMJ-UHFFFAOYSA-N
XLogP1.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide (CID 10587907) is 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCC(=O)C2)cc1.
What is the InChIKey of 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide?
The InChIKey is PRTXHIDCJAPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10-5-7-13(8-6-10)18(16,17)14-11-3-2-4-12(15)9-11/h5-8,11,14H,2-4,9H2,1H3.
What are the key properties of 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide?
4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide is sourced from PubChem (CID 10587907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).