2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide

C21H19ClN2O3S — CID 1203977

IUPAC2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide
SMILESO=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C21H19ClN2O3S/c22-19-13-7-8-14-20(19)24(28(26,27)18-11-5-2-6-12-18)16-21(25)23-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,25)
InChIKeyYDVBQUNSJUMTFF-UHFFFAOYSA-N
MW414.91 g/mol
LogP3.85
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide (PubChem CID 1203977) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide
PubChem CID1203977
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide
SMILESO=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C21H19ClN2O3S/c22-19-13-7-8-14-20(19)24(28(26,27)18-11-5-2-6-12-18)16-21(25)23-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,25)
InChIKeyYDVBQUNSJUMTFF-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide (CID 1203977) is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide is O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide?
The InChIKey is YDVBQUNSJUMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c22-19-13-7-8-14-20(19)24(28(26,27)18-11-5-2-6-12-18)16-21(25)23-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide?
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide has a molecular weight of 414.91 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-benzylacetamide is sourced from PubChem (CID 1203977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).