N-(3-methylbutyl)-2-sulfamoylbenzamide

C12H18N2O3S — CID 43164717

IUPACN-(3-methylbutyl)-2-sulfamoylbenzamide
SMILESCC(C)CCNC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)18(13,16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyCBDLFJSOVWWOOP-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.11
Rot. Bonds5

About N-(3-methylbutyl)-2-sulfamoylbenzamide

N-(3-methylbutyl)-2-sulfamoylbenzamide (PubChem CID 43164717) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-sulfamoylbenzamide
PubChem CID43164717
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(3-methylbutyl)-2-sulfamoylbenzamide
SMILESCC(C)CCNC(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)18(13,16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyCBDLFJSOVWWOOP-UHFFFAOYSA-N
XLogP1.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-2-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

N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
N-(3-methoxypropyl)-2-sulfamoylbenzamide
CID 43164716
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809
2-[2-(2-methylpropylamino)ethylcarbamoyl]benzenesulfonic acid
CID 59031770
N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
CID 134132713
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 38768051
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 119494860

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-sulfamoylbenzamide?
The IUPAC name of N-(3-methylbutyl)-2-sulfamoylbenzamide (CID 43164717) is N-(3-methylbutyl)-2-sulfamoylbenzamide.
What is the SMILES notation for N-(3-methylbutyl)-2-sulfamoylbenzamide?
The canonical SMILES for N-(3-methylbutyl)-2-sulfamoylbenzamide is CC(C)CCNC(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of N-(3-methylbutyl)-2-sulfamoylbenzamide?
The InChIKey is CBDLFJSOVWWOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)7-8-14-12(15)10-5-3-4-6-11(10)18(13,16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(3-methylbutyl)-2-sulfamoylbenzamide?
N-(3-methylbutyl)-2-sulfamoylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-sulfamoylbenzamide is sourced from PubChem (CID 43164717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).