N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide

C9H13BrN2O2S — CID 120706185

IUPACN-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C9H13BrN2O2S/c1-7-4-8(10)6-9(5-7)15(13,14)12-3-2-11/h4-6,12H,2-3,11H2,1H3
InChIKeyHOZSMLZKZUKGAQ-UHFFFAOYSA-N
MW293.19 g/mol
LogP0.99
Rot. Bonds4

About N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide

N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide (PubChem CID 120706185) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide
PubChem CID120706185
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC NameN-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C9H13BrN2O2S/c1-7-4-8(10)6-9(5-7)15(13,14)12-3-2-11/h4-6,12H,2-3,11H2,1H3
InChIKeyHOZSMLZKZUKGAQ-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
N-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 86780635
3-[(3-bromo-5-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071519
3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide
CID 82184304
N-(3-aminopropyl)-3-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 119962038
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide (CID 120706185) is N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide is Cc1cc(Br)cc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide?
The InChIKey is HOZSMLZKZUKGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-7-4-8(10)6-9(5-7)15(13,14)12-3-2-11/h4-6,12H,2-3,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide?
N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide has a molecular weight of 293.19 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide is sourced from PubChem (CID 120706185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).