N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide

C15H14Cl2N2O3S — CID 1243054

IUPACN-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyRDFIQTZRJRVFHK-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.29
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide

N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide (PubChem CID 1243054) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide
PubChem CID1243054
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyRDFIQTZRJRVFHK-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide (CID 1243054) is N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide?
The InChIKey is RDFIQTZRJRVFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide?
N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide has a molecular weight of 373.26 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 1243054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).