4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide

C12H17ClN2O3S — CID 106594205

IUPAC4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC2CCC(O)CC2)c1
InChIInChI=1S/C12H17ClN2O3S/c13-11-6-5-10(19(14,17)18)7-12(11)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4H2,(H2,14,17,18)
InChIKeyYNCWCGBELIFFQA-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.70
Rot. Bonds3

About 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide

4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide (PubChem CID 106594205) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
PubChem CID106594205
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC2CCC(O)CC2)c1
InChIInChI=1S/C12H17ClN2O3S/c13-11-6-5-10(19(14,17)18)7-12(11)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4H2,(H2,14,17,18)
InChIKeyYNCWCGBELIFFQA-UHFFFAOYSA-N
XLogP1.70
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
CID 43745911
4-N-(2-chloro-5-methylsulfonylphenyl)cyclohexane-1,4-diamine
CID 79724159
4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
CID 106593945
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
2-chloro-N-cyclohexyl-5-methylsulfonylaniline
CID 43682135
2-chloro-5-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63426890
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide
CID 43745883
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 82836345
2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 60867729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide (CID 106594205) is 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NC2CCC(O)CC2)c1.
What is the InChIKey of 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide?
The InChIKey is YNCWCGBELIFFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-11-6-5-10(19(14,17)18)7-12(11)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4H2,(H2,14,17,18).
What are the key properties of 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide?
4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 106594205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).