3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide

C11H14BrNO2S — CID 60985680

IUPAC3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO2S/c1-13(8-9-5-6-9)16(14,15)11-4-2-3-10(12)7-11/h2-4,7,9H,5-6,8H2,1H3
InChIKeyDJIXSINLTHWWAR-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.48
Rot. Bonds4

About 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide

3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide (PubChem CID 60985680) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
PubChem CID60985680
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO2S/c1-13(8-9-5-6-9)16(14,15)11-4-2-3-10(12)7-11/h2-4,7,9H,5-6,8H2,1H3
InChIKeyDJIXSINLTHWWAR-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(cyclopropylmethyl)-N-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

3-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253102
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
CID 106441720
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
3-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzenesulfonamide
CID 2551092
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide (CID 60985680) is 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide is CN(CC1CC1)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is DJIXSINLTHWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-13(8-9-5-6-9)16(14,15)11-4-2-3-10(12)7-11/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 304.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60985680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).