N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide

C13H19BrN2O3S — CID 61038243

IUPACN-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C13H19BrN2O3S/c1-19-12-7-6-9(14)8-13(12)20(17,18)16-11-5-3-2-4-10(11)15/h6-8,10-11,16H,2-5,15H2,1H3
InChIKeyQVFNWUPAGYUQIO-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.01
Rot. Bonds4

About N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide

N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide (PubChem CID 61038243) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
PubChem CID61038243
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC NameN-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC1CCCCC1N
InChIInChI=1S/C13H19BrN2O3S/c1-19-12-7-6-9(14)8-13(12)20(17,18)16-11-5-3-2-4-10(11)15/h6-8,10-11,16H,2-5,15H2,1H3
InChIKeyQVFNWUPAGYUQIO-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

N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
trans-(1S,2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 95789130
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
CID 63252482
5-bromo-2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80602276
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64913301
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide
CID 3314811
5-bromo-2-methoxy-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 25040467

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide (CID 61038243) is N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide?
The InChIKey is QVFNWUPAGYUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-19-12-7-6-9(14)8-13(12)20(17,18)16-11-5-3-2-4-10(11)15/h6-8,10-11,16H,2-5,15H2,1H3.
What are the key properties of N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide?
N-(2-aminocyclohexyl)-5-bromo-2-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-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 61038243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).