2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide

C21H19ClN2O3S — CID 1019165

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
SMILESCN(c1ccccc1C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19ClN2O3S/c1-24(28(26,27)17-10-3-2-4-11-17)20-14-8-6-12-18(20)21(25)23-15-16-9-5-7-13-19(16)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyVAAOOVBEWZWDBV-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.10
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide

2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide (PubChem CID 1019165) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
PubChem CID1019165
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
SMILESCN(c1ccccc1C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19ClN2O3S/c1-24(28(26,27)17-10-3-2-4-11-17)20-14-8-6-12-18(20)21(25)23-15-16-9-5-7-13-19(16)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyVAAOOVBEWZWDBV-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide (CID 1019165) is 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide is CN(c1ccccc1C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide?
The InChIKey is VAAOOVBEWZWDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-24(28(26,27)17-10-3-2-4-11-17)20-14-8-6-12-18(20)21(25)23-15-16-9-5-7-13-19(16)22/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide?
2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide has a molecular weight of 414.91 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 1019165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).