N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide

C18H15ClN2O3S2 — CID 55786642

IUPACN-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H15ClN2O3S2/c19-15-8-6-13(7-9-15)12-20-18(22)14-3-1-4-16(11-14)21-26(23,24)17-5-2-10-25-17/h1-11,21H,12H2,(H,20,22)
InChIKeySOOSSPCAHXCMQP-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.13
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide

N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55786642) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55786642
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H15ClN2O3S2/c19-15-8-6-13(7-9-15)12-20-18(22)14-3-1-4-16(11-14)21-26(23,24)17-5-2-10-25-17/h1-11,21H,12H2,(H,20,22)
InChIKeySOOSSPCAHXCMQP-UHFFFAOYSA-N
XLogP4.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide 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-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55830367
N-[3-[[[2-(4-chlorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 166191023
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55790239
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 55786642) is N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is SOOSSPCAHXCMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c19-15-8-6-13(7-9-15)12-20-18(22)14-3-1-4-16(11-14)21-26(23,24)17-5-2-10-25-17/h1-11,21H,12H2,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 406.92 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55786642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).