4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide

C14H20ClNO3S — CID 2978623

IUPAC4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3
InChIKeyRHHCPVIISDRYRI-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.21
Rot. Bonds4

About 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide

4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 2978623) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID2978623
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3
InChIKeyRHHCPVIISDRYRI-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 934688
4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide
CID 934975
4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide
CID 1256631
4-chloro-N-isopropyl-3-methoxybenzenesulfonamide
CID 1257337
3-chloro-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 961791
4-chloro-3-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991859
N-bicyclo[2.2.1]hept-2-yl-3-chloro-4-methoxybenzenesulfonamide
CID 2971752
N-(1-Adamantylmethyl)-4-chloro-3-methoxybenzenesulfonamide
CID 585370
N-[1-(adamantan-1-yl)propyl]-4-chloro-3-methoxybenzene-1-sulfonamide
CID 3942844
4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide
CID 896668
1-[(4-Chloro-3-methoxyphenyl)sulfonyl]-2-ethylpiperidine
CID 2931087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide (CID 2978623) is 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCCC2C)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is RHHCPVIISDRYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3.
What are the key properties of 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 2978623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).