4-chloro-3-(cyclohexylamino)benzenesulfonamide

C12H17ClN2O2S — CID 43745858

IUPAC4-chloro-3-(cyclohexylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC2CCCCC2)c1
InChIInChI=1S/C12H17ClN2O2S/c13-11-7-6-10(18(14,16)17)8-12(11)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H2,14,16,17)
InChIKeyIANAEPQMADGZNP-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.73
Rot. Bonds3

About 4-chloro-3-(cyclohexylamino)benzenesulfonamide

4-chloro-3-(cyclohexylamino)benzenesulfonamide (PubChem CID 43745858) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-3-(cyclohexylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(cyclohexylamino)benzenesulfonamide
PubChem CID43745858
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name4-chloro-3-(cyclohexylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC2CCCCC2)c1
InChIInChI=1S/C12H17ClN2O2S/c13-11-7-6-10(18(14,16)17)8-12(11)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H2,14,16,17)
InChIKeyIANAEPQMADGZNP-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 106594205
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 43745911
2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
CID 79724159
4-chloro-2-(cycloheptylamino)benzenesulfonamide
CID 67530728
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclohexylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(cyclohexylamino)benzenesulfonamide (CID 43745858) is 4-chloro-3-(cyclohexylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(cyclohexylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(cyclohexylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NC2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-(cyclohexylamino)benzenesulfonamide?
The InChIKey is IANAEPQMADGZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-11-7-6-10(18(14,16)17)8-12(11)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H2,14,16,17).
What are the key properties of 4-chloro-3-(cyclohexylamino)benzenesulfonamide?
4-chloro-3-(cyclohexylamino)benzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclohexylamino)benzenesulfonamide is sourced from PubChem (CID 43745858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).