5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide

C15H22ClNO3S — CID 897007

IUPAC5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H22ClNO3S/c1-3-17(13-7-5-4-6-8-13)21(18,19)15-11-12(16)9-10-14(15)20-2/h9-11,13H,3-8H2,1-2H3
InChIKeyCRUDZCSMHDIHJP-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.69
Rot. Bonds5

About 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide

5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide (PubChem CID 897007) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
PubChem CID897007
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H22ClNO3S/c1-3-17(13-7-5-4-6-8-13)21(18,19)15-11-12(16)9-10-14(15)20-2/h9-11,13H,3-8H2,1-2H3
InChIKeyCRUDZCSMHDIHJP-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclohexyl-2-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788468
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
CID 81396830
5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154373
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154240
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
2,3,4-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 50876130
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide (CID 897007) is 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is CRUDZCSMHDIHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-3-17(13-7-5-4-6-8-13)21(18,19)15-11-12(16)9-10-14(15)20-2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide?
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 897007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).