N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide

C10H15BrN2O2S — CID 124628497

IUPACN-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](C)N)cc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-7-3-4-9(5-10(7)11)16(14,15)13-6-8(2)12/h3-5,8,13H,6,12H2,1-2H3/t8-/m1/s1
InChIKeyMFHIWRJKXCGFSU-MRVPVSSYSA-N
MW307.21 g/mol
LogP1.38
Rot. Bonds4

About N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide

N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide (PubChem CID 124628497) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide
PubChem CID124628497
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC NameN-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](C)N)cc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-7-3-4-9(5-10(7)11)16(14,15)13-6-8(2)12/h3-5,8,13H,6,12H2,1-2H3/t8-/m1/s1
InChIKeyMFHIWRJKXCGFSU-MRVPVSSYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
CID 63733559
4-bromo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282590
N-(3-aminobutyl)-3-bromo-4-fluorobenzenesulfonamide
CID 119972812
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
N-(2-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119050680
N-(4-bromo-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 114295021
4-bromo-N-(2,2-dimethoxyethyl)-3-methylbenzenesulfonamide
CID 60707811
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide (CID 124628497) is N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](C)N)cc1Br.
What is the InChIKey of N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide?
The InChIKey is MFHIWRJKXCGFSU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-7-3-4-9(5-10(7)11)16(14,15)13-6-8(2)12/h3-5,8,13H,6,12H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide?
N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide has a molecular weight of 307.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 124628497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).