4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide

C14H21ClN2O2S — CID 43107717

IUPAC4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-9-8-11(16)10-13(14)15/h8-10,12H,2-7,16H2,1H3
InChIKeyFUULJENDDYSHDE-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.27
Rot. Bonds4

About 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide

4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide (PubChem CID 43107717) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
PubChem CID43107717
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-9-8-11(16)10-13(14)15/h8-10,12H,2-7,16H2,1H3
InChIKeyFUULJENDDYSHDE-UHFFFAOYSA-N
XLogP3.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
2,3,4-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 50876130
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 80697368
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide (CID 43107717) is 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The InChIKey is FUULJENDDYSHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-9-8-11(16)10-13(14)15/h8-10,12H,2-7,16H2,1H3.
What are the key properties of 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43107717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).