N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide

C17H12ClNO3S2 — CID 2819452

IUPACN-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide
SMILESO=C(Nc1cscc1S(=O)(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H12ClNO3S2/c18-14-9-5-4-8-13(14)17(20)19-15-10-23-11-16(15)24(21,22)12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeyCPDJWNZTEUDLTQ-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.49
Rot. Bonds4

About N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide

N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide (PubChem CID 2819452) has the molecular formula C17H12ClNO3S2 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide
PubChem CID2819452
Molecular FormulaC17H12ClNO3S2
Molecular Weight377.87 g/mol
Exact Mass376.99
IUPAC NameN-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide
SMILESO=C(Nc1cscc1S(=O)(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H12ClNO3S2/c18-14-9-5-4-8-13(14)17(20)19-15-10-23-11-16(15)24(21,22)12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeyCPDJWNZTEUDLTQ-UHFFFAOYSA-N
XLogP4.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-(phenylsulfonyl)thiophen-3-yl)-2-chlorobenzamide
CID 2819453
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(methanesulfinylmethyl)thiophene-2-carboxamide
CID 10028986
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(methanesulfonylmethyl)thiophene-2-carboxamide
CID 18376871
N-(5-chlorothiophen-3-yl)benzamide
CID 901515
2-{[(5-chloro-2-thienyl)sulfonyl]amino}-N-phenylbenzamide
CID 2200848
N-{3-[(2-chlorobenzoyl)amino]phenyl}-2-thiophenecarboxamide
CID 1164617
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide
CID 18376665
N1-{4-[(4-chlorophenyl)sulfonyl]-3-thienyl}-2-chlorobenzamide
CID 2819398
2-chloro-N-(2-methylphenyl)-5-(phenylsulfonyl)benzamide
CID 992292
N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 1347156
N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 1347368
N-{2-chloro-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 2226693

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide?
The IUPAC name of N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide (CID 2819452) is N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide?
The canonical SMILES for N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide is O=C(Nc1cscc1S(=O)(=O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide?
The InChIKey is CPDJWNZTEUDLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3S2/c18-14-9-5-4-8-13(14)17(20)19-15-10-23-11-16(15)24(21,22)12-6-2-1-3-7-12/h1-11H,(H,19,20).
What are the key properties of N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide?
N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide has a molecular weight of 377.87 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)thiophen-3-yl]-2-chlorobenzamide is sourced from PubChem (CID 2819452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).