3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide

C13H17NO3S — CID 61234303

IUPAC3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CC2(C)C)c1
InChIInChI=1S/C13H17NO3S/c1-9(15)10-5-4-6-11(7-10)18(16,17)14-12-8-13(12,2)3/h4-7,12,14H,8H2,1-3H3
InChIKeyRBCBUMSVHNKXAZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.97
Rot. Bonds4

About 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide

3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide (PubChem CID 61234303) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
PubChem CID61234303
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CC2(C)C)c1
InChIInChI=1S/C13H17NO3S/c1-9(15)10-5-4-6-11(7-10)18(16,17)14-12-8-13(12,2)3/h4-7,12,14H,8H2,1-3H3
InChIKeyRBCBUMSVHNKXAZ-UHFFFAOYSA-N
XLogP1.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43081984
3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 103838022
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-acetylbenzenesulfonamide
CID 100838682
3-acetyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423148
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide
CID 26983030
3-acetylbenzenesulfonic acid;hydrochloride
CID 174615071

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide (CID 61234303) is 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC2CC2(C)C)c1.
What is the InChIKey of 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide?
The InChIKey is RBCBUMSVHNKXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9(15)10-5-4-6-11(7-10)18(16,17)14-12-8-13(12,2)3/h4-7,12,14H,8H2,1-3H3.
What are the key properties of 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide?
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 61234303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).