4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide

C13H19BrN2O2S — CID 43255875

IUPAC4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(15)9-12(13)14/h7-9,11H,2-6,15H2,1H3
InChIKeyAUIXNWTVHBHEJQ-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.98
Rot. Bonds3

About 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide

4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide (PubChem CID 43255875) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
PubChem CID43255875
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(15)9-12(13)14/h7-9,11H,2-6,15H2,1H3
InChIKeyAUIXNWTVHBHEJQ-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.98
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
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
2-amino-5-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 54888604
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide
CID 65021039
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
4-amino-2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 55139512
N-(azepan-4-yl)-2,4-dibromo-N-methylbenzenesulfonamide
CID 107172943
5-amino-2-bromo-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 65206502
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide (CID 43255875) is 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide?
The InChIKey is AUIXNWTVHBHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(15)9-12(13)14/h7-9,11H,2-6,15H2,1H3.
What are the key properties of 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide?
4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43255875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).