N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide

C14H19NO3S — CID 114108471

IUPACN-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2CC2CC)c1
InChIInChI=1S/C14H19NO3S/c1-3-10-9-13(10)15-19(17,18)12-7-5-6-11(8-12)14(16)4-2/h5-8,10,13,15H,3-4,9H2,1-2H3
InChIKeyGWUIRDIXXAJUKK-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.36
Rot. Bonds6

About N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide

N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide (PubChem CID 114108471) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
PubChem CID114108471
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NC2CC2CC)c1
InChIInChI=1S/C14H19NO3S/c1-3-10-9-13(10)15-19(17,18)12-7-5-6-11(8-12)14(16)4-2/h5-8,10,13,15H,3-4,9H2,1-2H3
InChIKeyGWUIRDIXXAJUKK-UHFFFAOYSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide
CID 104696895
N-(1-methylpiperidin-4-yl)-3-propanoylbenzenesulfonamide
CID 60873622
3-[[2-(hydroxymethyl)cyclopropyl]sulfamoyl]-N,N-dimethylbenzamide
CID 86818841
3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 64921123
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
3-propanoylbenzenesulfonic acid
CID 148597255
N-[1-(hydroxymethyl)cyclopropyl]-3-propanoylbenzenesulfonamide
CID 115902801
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
N-[(2-methylpropan-2-yl)oxy]-3-propanoylbenzenesulfonamide
CID 107857568
N-[2-(methylamino)ethyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 119973412
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide (CID 114108471) is N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NC2CC2CC)c1.
What is the InChIKey of N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide?
The InChIKey is GWUIRDIXXAJUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-10-9-13(10)15-19(17,18)12-7-5-6-11(8-12)14(16)4-2/h5-8,10,13,15H,3-4,9H2,1-2H3.
What are the key properties of N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide?
N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 114108471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).