4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide

C19H22ClNO3S2 — CID 2912934

IUPAC4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide
SMILESCSc1ccc(OC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S2/c1-25-16-10-8-15(9-11-16)24-19-5-3-2-4-18(19)21-26(22,23)17-12-6-14(20)7-13-17/h6-13,18-19,21H,2-5H2,1H3
InChIKeyCHVFSJQPSUUYIY-UHFFFAOYSA-N
MW411.98 g/mol
LogP4.73
Rot. Bonds6

About 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide

4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide (PubChem CID 2912934) has the molecular formula C19H22ClNO3S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide
PubChem CID2912934
Molecular FormulaC19H22ClNO3S2
Molecular Weight411.98 g/mol
Exact Mass411.07
IUPAC Name4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide
SMILESCSc1ccc(OC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S2/c1-25-16-10-8-15(9-11-16)24-19-5-3-2-4-18(19)21-26(22,23)17-12-6-14(20)7-13-17/h6-13,18-19,21H,2-5H2,1H3
InChIKeyCHVFSJQPSUUYIY-UHFFFAOYSA-N
XLogP4.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 5142185
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide
CID 8932841
N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide
CID 2913687
N-[2-(4-chlorophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 9509229
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-4-methoxybenzenesulfonamide
CID 2289097
4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide
CID 3325701
4-chloro-N-[2-(4-ethoxyphenoxy)ethyl]benzene-1-sulfonamide
CID 24231184
{[4-(2-Chlorophenoxy)phenyl]sulfonyl}cyclohexylamine
CID 1190531
trans-(1S,2S)-2-(2-chloro-5-fluoro-4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 134459369
N-[2-(4-chlorophenyl)sulfanylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 37499605
4-chloro-2-fluoro-N-(2-phenoxypropyl)benzenesulfonamide
CID 60310168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide (CID 2912934) is 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide is CSc1ccc(OC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide?
The InChIKey is CHVFSJQPSUUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S2/c1-25-16-10-8-15(9-11-16)24-19-5-3-2-4-18(19)21-26(22,23)17-12-6-14(20)7-13-17/h6-13,18-19,21H,2-5H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide has a molecular weight of 411.98 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2912934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).