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

C14H21ClN2O2S — CID 115330142

IUPAC4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccc(N)c(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-14(2)7-5-10(6-8-14)17-20(18,19)11-3-4-13(16)12(15)9-11/h3-4,9-10,17H,5-8,16H2,1-2H3
InChIKeyCTDNYDVIOGUUIQ-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.17
Rot. Bonds3

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

4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 115330142) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
PubChem CID115330142
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccc(N)c(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-14(2)7-5-10(6-8-14)17-20(18,19)11-3-4-13(16)12(15)9-11/h3-4,9-10,17H,5-8,16H2,1-2H3
InChIKeyCTDNYDVIOGUUIQ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

4-amino-3-chloro-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 113288425
4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
CID 115330193
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139
4-amino-3-chloro-N-(2-ethylcyclopropyl)benzenesulfonamide
CID 114108611
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 115330040
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110726898

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide (CID 115330142) is 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide is CC1(C)CCC(NS(=O)(=O)c2ccc(N)c(Cl)c2)CC1.
What is the InChIKey of 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is CTDNYDVIOGUUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-14(2)7-5-10(6-8-14)17-20(18,19)11-3-4-13(16)12(15)9-11/h3-4,9-10,17H,5-8,16H2,1-2H3.
What are the key properties of 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide?
4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(4,4-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 115330142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).