4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide

C13H18ClNO3S — CID 934975

IUPAC4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyDJCSRXNBLXMVFQ-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.96
Rot. Bonds4

About 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide

4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide (PubChem CID 934975) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide
PubChem CID934975
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyDJCSRXNBLXMVFQ-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide (CID 934975) is 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide?
The InChIKey is DJCSRXNBLXMVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3.
What are the key properties of 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide?
4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 934975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).