2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide

C18H15ClN2O3S2 — CID 4601351

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C18H15ClN2O3S2/c1-12-6-8-13(9-7-12)20-18(22)14-4-2-3-5-15(14)21-26(23,24)17-11-10-16(19)25-17/h2-11,21H,1H3,(H,20,22)
InChIKeyFUBOGCJYAYRPCO-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.76
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide

2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide (PubChem CID 4601351) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide
PubChem CID4601351
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C18H15ClN2O3S2/c1-12-6-8-13(9-7-12)20-18(22)14-4-2-3-5-15(14)21-26(23,24)17-11-10-16(19)25-17/h2-11,21H,1H3,(H,20,22)
InChIKeyFUBOGCJYAYRPCO-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

Ataciguat
CID 213037
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-[(methylsulfanyl)methyl]thiophene-2-carboxamide
CID 18376839
Ataciguat sodium
CID 23694739
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-methylthiophene-2-carboxamide
CID 18376748
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(methanesulfonylmethyl)thiophene-2-carboxamide
CID 18376871
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-methylthiophene-2-carboxamide
CID 18377010
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
2-{[(5-chloro-2-thienyl)sulfonyl]amino}-N-phenylbenzamide
CID 2200848
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide
CID 18376665
3-chloro-N-[4-methyl-2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376717
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]thiophene-2-carboxamide
CID 18376768

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide (CID 4601351) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide?
The InChIKey is FUBOGCJYAYRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c1-12-6-8-13(9-7-12)20-18(22)14-4-2-3-5-15(14)21-26(23,24)17-11-10-16(19)25-17/h2-11,21H,1H3,(H,20,22).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide 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 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 4601351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).