4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide

C13H17BrN2O3S — CID 113252067

IUPAC4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
SMILESCC1(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1
InChIInChI=1S/C13H17BrN2O3S/c1-13(5-2-6-13)8-16-12(17)9-3-4-10(14)11(7-9)20(15,18)19/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyQNSGSNYNWIBNFB-UHFFFAOYSA-N
MW361.26 g/mol
LogP2.02
Rot. Bonds4

About 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide

4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide (PubChem CID 113252067) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
PubChem CID113252067
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
SMILESCC1(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1
InChIInChI=1S/C13H17BrN2O3S/c1-13(5-2-6-13)8-16-12(17)9-3-4-10(14)11(7-9)20(15,18)19/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyQNSGSNYNWIBNFB-UHFFFAOYSA-N
XLogP2.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide 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-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103743847
N-[(1-methylcyclopentyl)methyl]-4-sulfamoylbenzamide
CID 63821642
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
N-[(1-methylcyclohexyl)methyl]-4-sulfamoylbenzamide
CID 103754265
3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103873712
4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65387521
4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 38768051
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
CID 103991217
4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 103737493

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide (CID 113252067) is 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide is CC1(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCC1.
What is the InChIKey of 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is QNSGSNYNWIBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-13(5-2-6-13)8-16-12(17)9-3-4-10(14)11(7-9)20(15,18)19/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide?
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 361.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 113252067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).