2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide

C16H17ClN2O3S — CID 2271056

IUPAC2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-2-18-16(20)12-19(14-10-8-13(17)9-11-14)23(21,22)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyYBVYCONPMRTRLF-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.67
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide

2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide (PubChem CID 2271056) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide
PubChem CID2271056
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-2-18-16(20)12-19(14-10-8-13(17)9-11-14)23(21,22)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyYBVYCONPMRTRLF-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide (CID 2271056) is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide is CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide?
The InChIKey is YBVYCONPMRTRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-2-18-16(20)12-19(14-10-8-13(17)9-11-14)23(21,22)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,18,20).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide?
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide has a molecular weight of 352.84 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-ethylacetamide is sourced from PubChem (CID 2271056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).