5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide

C20H16ClNO3S — CID 992291

IUPAC5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C20H16ClNO3S/c1-14-6-5-7-15(12-14)22-20(23)18-13-17(10-11-19(18)21)26(24,25)16-8-3-2-4-9-16/h2-13H,1H3,(H,22,23)
InChIKeyITDWXXHEWWDSLV-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.73
Rot. Bonds4

About 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide

5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide (PubChem CID 992291) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide
PubChem CID992291
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC Name5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)c1
InChIInChI=1S/C20H16ClNO3S/c1-14-6-5-7-15(12-14)22-20(23)18-13-17(10-11-19(18)21)26(24,25)16-8-3-2-4-9-16/h2-13H,1H3,(H,22,23)
InChIKeyITDWXXHEWWDSLV-UHFFFAOYSA-N
XLogP4.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide?
The IUPAC name of 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide (CID 992291) is 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide?
The canonical SMILES for 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)c1.
What is the InChIKey of 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide?
The InChIKey is ITDWXXHEWWDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-14-6-5-7-15(12-14)22-20(23)18-13-17(10-11-19(18)21)26(24,25)16-8-3-2-4-9-16/h2-13H,1H3,(H,22,23).
What are the key properties of 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide?
5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide has a molecular weight of 385.87 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-chloro-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 992291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).