N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen

C14H15NO3S — CID 142001104

IUPACN-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1.[H][H]
InChIInChI=1S/C14H13NO3S.H2/c1-11(16)15-12-6-5-9-14(10-12)19(17,18)13-7-3-2-4-8-13;/h2-10H,1H3,(H,15,16);1H
InChIKeyRCPLLHOKCAEUKF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.72
Rot. Bonds3

About N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen

N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen (PubChem CID 142001104) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
PubChem CID142001104
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
SMILESCC(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1.[H][H]
InChIInChI=1S/C14H13NO3S.H2/c1-11(16)15-12-6-5-9-14(10-12)19(17,18)13-7-3-2-4-8-13;/h2-10H,1H3,(H,15,16);1H
InChIKeyRCPLLHOKCAEUKF-UHFFFAOYSA-N
XLogP2.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-acetamidophenyl)sulfonyl 3-acetamidobenzenesulfonate
CID 57013358
1-phenyl-3-[3-[3-(phenylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea
CID 4126128
N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide
CID 23312094
1,3-bis[3-(4-ethylphenyl)sulfonylphenyl]urea
CID 175922236
N-[3-[(1-phenylcyclopropyl)sulfamoyl]phenyl]acetamide
CID 110446289
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
3-(benzenesulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 171989498
N-[3-(benzenesulfonyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 134433594
N-[3-(benzenesulfonyl)phenyl]-3,5-dichloro-2-hydroxybenzamide
CID 11270147
cobalt;N-phenylacetamide
CID 158689050
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 53124429

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen?
The IUPAC name of N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen (CID 142001104) is N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen?
The canonical SMILES for N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen is CC(=O)Nc1cccc(S(=O)(=O)c2ccccc2)c1.[H][H].
What is the InChIKey of N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen?
The InChIKey is RCPLLHOKCAEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S.H2/c1-11(16)15-12-6-5-9-14(10-12)19(17,18)13-7-3-2-4-8-13;/h2-10H,1H3,(H,15,16);1H.
What are the key properties of N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen?
N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen has a molecular weight of 277.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen is sourced from PubChem (CID 142001104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).