2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide

C12H13NO4S — CID 82165153

IUPAC2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C12H13NO4S/c13-11(14)7-18(16,17)10-5-3-9(4-6-10)12(15)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14)
InChIKeyGCJXUMINBGAPOV-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.54
Rot. Bonds5

About 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide

2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide (PubChem CID 82165153) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide
PubChem CID82165153
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C12H13NO4S/c13-11(14)7-18(16,17)10-5-3-9(4-6-10)12(15)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14)
InChIKeyGCJXUMINBGAPOV-UHFFFAOYSA-N
XLogP0.54
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetate
CID 82165154
2-[4-(3-methylbutanoyl)phenyl]sulfonylacetamide
CID 82165261
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
2-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]sulfonylacetamide
CID 126454556
cyclobutyl-(4-methylsulfonylphenyl)methanone
CID 82497049
2-[4-(cyclopropanecarbonyl)phenyl]sulfonylpropanoic acid
CID 82165157
3-[4-(cyclopropanecarbonyl)phenyl]sulfonylpentane-2,4-dione
CID 98903991
2-[4-(cyclopropanecarbonyl)phenyl]sulfonyl-2-methylpropanoic acid
CID 82165183
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
cyclopropyl-(4-piperazin-1-ylsulfonylphenyl)methanone
CID 82165047
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
CID 64642343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide (CID 82165153) is 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide is NC(=O)CS(=O)(=O)c1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide?
The InChIKey is GCJXUMINBGAPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c13-11(14)7-18(16,17)10-5-3-9(4-6-10)12(15)8-1-2-8/h3-6,8H,1-2,7H2,(H2,13,14).
What are the key properties of 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide?
2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide has a molecular weight of 267.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 82165153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).