N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide

C12H17ClN2O3S — CID 43246501

IUPACN-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-3-4-8(2)12(16)15-9-5-6-11(10(13)7-9)19(14,17)18/h5-8H,3-4H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyROOGTUBFYSLNTD-UHFFFAOYSA-N
MW304.80 g/mol
LogP2.36
Rot. Bonds5

About N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide

N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide (PubChem CID 43246501) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
PubChem CID43246501
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-3-4-8(2)12(16)15-9-5-6-11(10(13)7-9)19(14,17)18/h5-8H,3-4H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyROOGTUBFYSLNTD-UHFFFAOYSA-N
XLogP2.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide 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

(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 61128214
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
N-(3-chloro-4-hydroxyphenyl)-4-methoxy-2-methylbutanamide
CID 86785937
dimethyl 5-(2-methylpentanoylamino)benzene-1,3-dicarboxylate
CID 2888853
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide?
The IUPAC name of N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide (CID 43246501) is N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide?
The canonical SMILES for N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide?
The InChIKey is ROOGTUBFYSLNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-3-4-8(2)12(16)15-9-5-6-11(10(13)7-9)19(14,17)18/h5-8H,3-4H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide?
N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide has a molecular weight of 304.80 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide is sourced from PubChem (CID 43246501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).