5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide

C14H21ClN2O2S — CID 64740102

IUPAC5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)CC1C
InChIInChI=1S/C14H21ClN2O2S/c1-9-3-5-12(7-10(9)2)17-20(18,19)14-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3
InChIKeyBFZXTALDYZIJRT-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.03
Rot. Bonds3

About 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide

5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 64740102) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
PubChem CID64740102
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)CC1C
InChIInChI=1S/C14H21ClN2O2S/c1-9-3-5-12(7-10(9)2)17-20(18,19)14-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3
InChIKeyBFZXTALDYZIJRT-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 65206704
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107843564
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-amino-N-(3,4-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64740663
5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250243
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chlorobenzenesulfonamide
CID 43102600
5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide (CID 64740102) is 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)CC1C.
What is the InChIKey of 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is BFZXTALDYZIJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-9-3-5-12(7-10(9)2)17-20(18,19)14-8-11(16)4-6-13(14)15/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide?
5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 64740102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).