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

C11H13BrFNO2S — CID 103697406

IUPAC4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNO2S/c1-14(7-8-2-3-8)17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8H,2-3,7H2,1H3
InChIKeyARDROVSBZMTQPM-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.62
Rot. Bonds4

About 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide

4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 103697406) has the molecular formula C11H13BrFNO2S and a molecular weight of 322.20 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID103697406
Molecular FormulaC11H13BrFNO2S
Molecular Weight322.20 g/mol
Exact Mass320.98
IUPAC Name4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNO2S/c1-14(7-8-2-3-8)17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8H,2-3,7H2,1H3
InChIKeyARDROVSBZMTQPM-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(cyclopropylmethyl)-3-fluoro-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

4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 91905238
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650164
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 106611161

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide (CID 103697406) is 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide is CN(CC1CC1)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is ARDROVSBZMTQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2S/c1-14(7-8-2-3-8)17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide?
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 322.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 103697406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).