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

C9H11ClN2O3S2 — CID 23645367

IUPACN-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCS)c(Cl)c1
InChIInChI=1S/C9H11ClN2O3S2/c10-7-5-6(17(11,14)15)1-2-8(7)12-9(13)3-4-16/h1-2,5,16H,3-4H2,(H,12,13)(H2,11,14,15)
InChIKeyFHYWPFZZUNPUTE-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.25
Rot. Bonds4

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

N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide (PubChem CID 23645367) has the molecular formula C9H11ClN2O3S2 and a molecular weight of 294.79 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide
PubChem CID23645367
Molecular FormulaC9H11ClN2O3S2
Molecular Weight294.79 g/mol
Exact Mass293.99
IUPAC NameN-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCS)c(Cl)c1
InChIInChI=1S/C9H11ClN2O3S2/c10-7-5-6(17(11,14)15)1-2-8(7)12-9(13)3-4-16/h1-2,5,16H,3-4H2,(H,12,13)(H2,11,14,15)
InChIKeyFHYWPFZZUNPUTE-UHFFFAOYSA-N
XLogP1.25
TPSA89.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide 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-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate
CID 10667340
4-chloro-N-(2-chloro-4-sulfamoylphenyl)benzamide
CID 43134088
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521
N-(2-chloro-4-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475777
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
[(1S)-3-(2-chloro-4-sulfamoylanilino)-1-(2,3-dichlorophenyl)-3-oxopropyl]carbamothioic S-acid
CID 87892755
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]amino]acetic acid
CID 11082357
N-(2-chloro-4-sulfamoylphenyl)-2-iodobenzamide
CID 43246729
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide (CID 23645367) is N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide is NS(=O)(=O)c1ccc(NC(=O)CCS)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide?
The InChIKey is FHYWPFZZUNPUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S2/c10-7-5-6(17(11,14)15)1-2-8(7)12-9(13)3-4-16/h1-2,5,16H,3-4H2,(H,12,13)(H2,11,14,15).
What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide?
N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide has a molecular weight of 294.79 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 23645367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).