N-(4-bromo-2-methylphenyl)ethanesulfinamide

C9H12BrNOS — CID 131137861

IUPACN-(4-bromo-2-methylphenyl)ethanesulfinamide
SMILESCCS(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C9H12BrNOS/c1-3-13(12)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3
InChIKeyAPRIAECPMQZLCF-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.85
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)ethanesulfinamide

N-(4-bromo-2-methylphenyl)ethanesulfinamide (PubChem CID 131137861) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)ethanesulfinamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)ethanesulfinamide
PubChem CID131137861
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC NameN-(4-bromo-2-methylphenyl)ethanesulfinamide
SMILESCCS(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C9H12BrNOS/c1-3-13(12)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3
InChIKeyAPRIAECPMQZLCF-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-bromo-2-methylphenyl)ethanesulfinamide 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-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane
CID 143024754
4-bromo-N-ethyl-2-methylaniline
CID 23053407
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
4-bromo-2-methyl-N-undecan-6-ylaniline
CID 63419193
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
4-bromo-N-(3-ethylsulfonylpropyl)-2-methylaniline
CID 65094187
4-bromo-N-heptyl-2-methylaniline
CID 43129195
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-[(4-bromo-2-methylphenyl)carbamoyl]butanoic acid
CID 56986865
1-(4-bromo-2-methylphenyl)-3-ethylthiourea
CID 8682351
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)ethanesulfinamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)ethanesulfinamide (CID 131137861) is N-(4-bromo-2-methylphenyl)ethanesulfinamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)ethanesulfinamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)ethanesulfinamide is CCS(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)ethanesulfinamide?
The InChIKey is APRIAECPMQZLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-3-13(12)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(4-bromo-2-methylphenyl)ethanesulfinamide?
N-(4-bromo-2-methylphenyl)ethanesulfinamide has a molecular weight of 262.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)ethanesulfinamide is sourced from PubChem (CID 131137861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).