N-(4-methylphenyl)sulfonylcyclopropanecarboxamide

C11H13NO3S — CID 46179849

IUPACN-(4-methylphenyl)sulfonylcyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2CC2)cc1
InChIInChI=1S/C11H13NO3S/c1-8-2-6-10(7-3-8)16(14,15)12-11(13)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,12,13)
InChIKeyWDOYWJXXSGMIOV-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.21
Rot. Bonds3

About N-(4-methylphenyl)sulfonylcyclopropanecarboxamide

N-(4-methylphenyl)sulfonylcyclopropanecarboxamide (PubChem CID 46179849) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonylcyclopropanecarboxamide
PubChem CID46179849
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-(4-methylphenyl)sulfonylcyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2CC2)cc1
InChIInChI=1S/C11H13NO3S/c1-8-2-6-10(7-3-8)16(14,15)12-11(13)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,12,13)
InChIKeyWDOYWJXXSGMIOV-UHFFFAOYSA-N
XLogP1.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
N-(4-methylphenyl)sulfonyl-2,6-dioxocyclohexane-1-carboxamide
CID 86016968
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 71475860
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672481
(4-methylphenyl)sulfonylurea;urea
CID 160676948
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
[(1R,4S)-4-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclohex-2-en-1-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 11005717
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonylcyclopropanecarboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonylcyclopropanecarboxamide (CID 46179849) is N-(4-methylphenyl)sulfonylcyclopropanecarboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonylcyclopropanecarboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonylcyclopropanecarboxamide is Cc1ccc(S(=O)(=O)NC(=O)C2CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonylcyclopropanecarboxamide?
The InChIKey is WDOYWJXXSGMIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8-2-6-10(7-3-8)16(14,15)12-11(13)9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,12,13).
What are the key properties of N-(4-methylphenyl)sulfonylcyclopropanecarboxamide?
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide has a molecular weight of 239.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonylcyclopropanecarboxamide is sourced from PubChem (CID 46179849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).