N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide

C18H15ClN2O3S2 — CID 4070512

IUPACN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3S2/c1-12-7-8-14(20-18(22)16-6-3-9-25-16)11-17(12)26(23,24)21-15-5-2-4-13(19)10-15/h2-11,21H,1H3,(H,20,22)
InChIKeyJWIYLNJUFVQJRS-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.76
Rot. Bonds5

About N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 4070512) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide
PubChem CID4070512
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3S2/c1-12-7-8-14(20-18(22)16-6-3-9-25-16)11-17(12)26(23,24)21-15-5-2-4-13(19)10-15/h2-11,21H,1H3,(H,20,22)
InChIKeyJWIYLNJUFVQJRS-UHFFFAOYSA-N
XLogP4.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(5-chloro-2-thienyl)sulfonyl]amino}-N-phenylbenzamide
CID 2200848
N1-{4-[(4-chlorophenyl)sulfonyl]-3-thienyl}-2-chlorobenzamide
CID 2819398
N1-[4-(phenylsulfonyl)-3-thienyl]-2-chlorobenzamide
CID 2819452
N-(4'-chloro[1,1'-biphenyl]-4-yl)-2-thiophenecarboxamide
CID 783090
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 1012745
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 2162831
N-{2-chloro-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 2226693
N-[3-Chloro-4-(2-phenylacetamido)phenyl]thiophene-2-carboxamide
CID 3132084
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 3926622
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 4194680
N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 4229681
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 4282422

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide (CID 4070512) is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide?
The InChIKey is JWIYLNJUFVQJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c1-12-7-8-14(20-18(22)16-6-3-9-25-16)11-17(12)26(23,24)21-15-5-2-4-13(19)10-15/h2-11,21H,1H3,(H,20,22).
What are the key properties of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide?
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4070512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).