4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide

C15H22ClNO3S — CID 896668

IUPAC4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H22ClNO3S/c1-3-17(12-7-5-4-6-8-12)21(18,19)13-9-10-14(16)15(11-13)20-2/h9-12H,3-8H2,1-2H3
InChIKeyDLKRNWIFXMLTMY-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.69
Rot. Bonds5

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

4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide (PubChem CID 896668) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide
PubChem CID896668
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H22ClNO3S/c1-3-17(12-7-5-4-6-8-12)21(18,19)13-9-10-14(16)15(11-13)20-2/h9-12H,3-8H2,1-2H3
InChIKeyDLKRNWIFXMLTMY-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

1-(4-Chloro-3-methoxyphenyl)sulfonylazepane
CID 566595
4-chloro-N,N-diethyl-2,5-dimethoxybenzenesulfonamide
CID 1511145
2,4-dichloro-N,N-diethyl-5-methoxybenzenesulfonamide
CID 849946
1-(4-Chloro-3-ethoxyphenyl)sulfonylpyrrolidine
CID 850043
4-chloro-3-methoxy-N,N-dipropylbenzenesulfonamide
CID 882485
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
1-[(4-Chloro-3-ethoxyphenyl)sulfonyl]-4-ethylpiperazine
CID 1652551
4-Chloro-3-methoxy-N-(3-morpholin-4-yl-propyl)-benzenesulfonamide
CID 2899334
4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide (CID 896668) is 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide?
The InChIKey is DLKRNWIFXMLTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-3-17(12-7-5-4-6-8-12)21(18,19)13-9-10-14(16)15(11-13)20-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide?
4-chloro-N-cyclohexyl-N-ethyl-3-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 4-chloro-N-cyclohexyl-N-ethyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 896668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).