N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide

C13H19BrN2O3S — CID 62319082

IUPACN-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1Br
InChIInChI=1S/C13H19BrN2O3S/c1-19-13-7-6-11(8-12(13)14)20(17,18)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3
InChIKeyKRZDUSXZWXZKQY-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.01
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide

N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide (PubChem CID 62319082) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
PubChem CID62319082
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC NameN-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1Br
InChIInChI=1S/C13H19BrN2O3S/c1-19-13-7-6-11(8-12(13)14)20(17,18)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3
InChIKeyKRZDUSXZWXZKQY-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 62359246
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide (CID 62319082) is N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1Br.
What is the InChIKey of N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide?
The InChIKey is KRZDUSXZWXZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-19-13-7-6-11(8-12(13)14)20(17,18)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide?
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide has a molecular weight of 363.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide is sourced from PubChem (CID 62319082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).