N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide

C12H17BrN2O2S — CID 62314743

IUPACN-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
SMILESNC1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C12H17BrN2O2S/c13-9-2-1-3-12(8-9)18(16,17)15-11-6-4-10(14)5-7-11/h1-3,8,10-11,15H,4-7,14H2
InChIKeyGAHOUVHQUJRMQT-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.00
Rot. Bonds3

About N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide

N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide (PubChem CID 62314743) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
PubChem CID62314743
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
SMILESNC1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C12H17BrN2O2S/c13-9-2-1-3-12(8-9)18(16,17)15-11-6-4-10(14)5-7-11/h1-3,8,10-11,15H,4-7,14H2
InChIKeyGAHOUVHQUJRMQT-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-(azepan-4-yl)-3-bromobenzenesulfonamide
CID 107172896
3-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzenesulfonamide
CID 51121937
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
N-[3-(cyclopropylsulfamoyl)phenyl]formamide
CID 64992221
3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 94798825
3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357259
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide (CID 62314743) is N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide is NC1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide?
The InChIKey is GAHOUVHQUJRMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-9-2-1-3-12(8-9)18(16,17)15-11-6-4-10(14)5-7-11/h1-3,8,10-11,15H,4-7,14H2.
What are the key properties of N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide?
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide is sourced from PubChem (CID 62314743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).