N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide

C16H16ClNO5S2 — CID 2765509

IUPACN-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16ClNO5S2/c17-13-6-8-15(9-7-13)25(22,23)12-16(19)18-10-11-24(20,21)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyBKTVXKOUQHSNOD-UHFFFAOYSA-N
MW401.89 g/mol
LogP1.70
Rot. Bonds7

About N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide

N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide (PubChem CID 2765509) has the molecular formula C16H16ClNO5S2 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
PubChem CID2765509
Molecular FormulaC16H16ClNO5S2
Molecular Weight401.89 g/mol
Exact Mass401.02
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16ClNO5S2/c17-13-6-8-15(9-7-13)25(22,23)12-16(19)18-10-11-24(20,21)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyBKTVXKOUQHSNOD-UHFFFAOYSA-N
XLogP1.70
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
N-(3-aminopropyl)-2-(4-chlorophenyl)sulfonylacetamide;hydrochloride
CID 119408635
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 24654937
N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
CID 51193950
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
CID 34381808
N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
CID 51091918
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide (CID 2765509) is N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is BKTVXKOUQHSNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S2/c17-13-6-8-15(9-7-13)25(22,23)12-16(19)18-10-11-24(20,21)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide?
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 401.89 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 2765509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).