4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide

C15H15ClN2O3S — CID 38297560

IUPAC4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H15ClN2O3S/c1-10-9-13(7-8-14(10)18-22(2,20)21)17-15(19)11-3-5-12(16)6-4-11/h3-9,18H,1-2H3,(H,17,19)
InChIKeyYITKKANVQJZICB-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.27
Rot. Bonds4

About 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide

4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide (PubChem CID 38297560) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide
PubChem CID38297560
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H15ClN2O3S/c1-10-9-13(7-8-14(10)18-22(2,20)21)17-15(19)11-3-5-12(16)6-4-11/h3-9,18H,1-2H3,(H,17,19)
InChIKeyYITKKANVQJZICB-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide (CID 38297560) is 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NS(C)(=O)=O.
What is the InChIKey of 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide?
The InChIKey is YITKKANVQJZICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-10-9-13(7-8-14(10)18-22(2,20)21)17-15(19)11-3-5-12(16)6-4-11/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide?
4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide has a molecular weight of 338.82 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]benzamide is sourced from PubChem (CID 38297560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).