3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide

C14H20BrClN2O2S — CID 62955123

IUPAC3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C14H20BrClN2O2S/c1-2-18(11-6-4-3-5-7-11)21(19,20)13-9-10(16)8-12(17)14(13)15/h8-9,11H,2-7,17H2,1H3
InChIKeyKXQXGGBGMLXSAV-UHFFFAOYSA-N
MW395.75 g/mol
LogP4.03
Rot. Bonds4

About 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide

3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide (PubChem CID 62955123) has the molecular formula C14H20BrClN2O2S and a molecular weight of 395.75 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
PubChem CID62955123
Molecular FormulaC14H20BrClN2O2S
Molecular Weight395.75 g/mol
Exact Mass394.01
IUPAC Name3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C14H20BrClN2O2S/c1-2-18(11-6-4-3-5-7-11)21(19,20)13-9-10(16)8-12(17)14(13)15/h8-9,11H,2-7,17H2,1H3
InChIKeyKXQXGGBGMLXSAV-UHFFFAOYSA-N
XLogP4.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.75
LogP ≤ 54.03
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

3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 103050502
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
CID 81396830
2,3,4-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 50876130
3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 55152525

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide (CID 62955123) is 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The InChIKey is KXQXGGBGMLXSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O2S/c1-2-18(11-6-4-3-5-7-11)21(19,20)13-9-10(16)8-12(17)14(13)15/h8-9,11H,2-7,17H2,1H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide has a molecular weight of 395.75 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 62955123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).