N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide

C10H15BrN2O2S — CID 115271580

IUPACN-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
SMILESCC(CN)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-8(6-12)7-13-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,13H,6-7,12H2,1H3
InChIKeyUEIXCHRCOQPFKF-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.32
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide

N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide (PubChem CID 115271580) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
PubChem CID115271580
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC NameN-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
SMILESCC(CN)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-8(6-12)7-13-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,13H,6-7,12H2,1H3
InChIKeyUEIXCHRCOQPFKF-UHFFFAOYSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251
N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
CID 113284014
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
CID 62668350
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
2-bromo-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158915
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 25497004
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-methylbenzenesulfonamide
CID 850141

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide (CID 115271580) is N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide is CC(CN)CNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide?
The InChIKey is UEIXCHRCOQPFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-8(6-12)7-13-16(14,15)10-5-3-2-4-9(10)11/h2-5,8,13H,6-7,12H2,1H3.
What are the key properties of N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide?
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide has a molecular weight of 307.21 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide is sourced from PubChem (CID 115271580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).