N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide

C25H20ClNO5S3 — CID 25235119

IUPACN-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide
SMILESCS(=O)(=O)c1cccc(-c2ccc(CN(C(=O)c3ccccc3)S(=O)(=O)c3ccccc3Cl)s2)c1
InChIInChI=1S/C25H20ClNO5S3/c1-34(29,30)21-11-7-10-19(16-21)23-15-14-20(33-23)17-27(25(28)18-8-3-2-4-9-18)35(31,32)24-13-6-5-12-22(24)26/h2-16H,17H2,1H3
InChIKeyUUHKOANREMIBGE-UHFFFAOYSA-N
MW546.09 g/mol
LogP5.50
Rot. Bonds7

About N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide

N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide (PubChem CID 25235119) has the molecular formula C25H20ClNO5S3 and a molecular weight of 546.09 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide
PubChem CID25235119
Molecular FormulaC25H20ClNO5S3
Molecular Weight546.09 g/mol
Exact Mass545.02
IUPAC NameN-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide
SMILESCS(=O)(=O)c1cccc(-c2ccc(CN(C(=O)c3ccccc3)S(=O)(=O)c3ccccc3Cl)s2)c1
InChIInChI=1S/C25H20ClNO5S3/c1-34(29,30)21-11-7-10-19(16-21)23-15-14-20(33-23)17-27(25(28)18-8-3-2-4-9-18)35(31,32)24-13-6-5-12-22(24)26/h2-16H,17H2,1H3
InChIKeyUUHKOANREMIBGE-UHFFFAOYSA-N
XLogP5.50
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.09
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide (CID 25235119) is N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide is CS(=O)(=O)c1cccc(-c2ccc(CN(C(=O)c3ccccc3)S(=O)(=O)c3ccccc3Cl)s2)c1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is UUHKOANREMIBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO5S3/c1-34(29,30)21-11-7-10-19(16-21)23-15-14-20(33-23)17-27(25(28)18-8-3-2-4-9-18)35(31,32)24-13-6-5-12-22(24)26/h2-16H,17H2,1H3.
What are the key properties of N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide?
N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 546.09 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 25235119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).