N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide

C12H13F2NO3S — CID 70931231

IUPACN-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F
InChIInChI=1S/C12H13F2NO3S/c1-2-9(16)11-8(13)5-6-10(12(11)14)19(17,18)15-7-3-4-7/h5-7,15H,2-4H2,1H3
InChIKeyJWELRYMQOYQQPL-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.00
Rot. Bonds5

About N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide

N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide (PubChem CID 70931231) has the molecular formula C12H13F2NO3S and a molecular weight of 289.30 g/mol. Its IUPAC name is N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide
PubChem CID70931231
Molecular FormulaC12H13F2NO3S
Molecular Weight289.30 g/mol
Exact Mass289.06
IUPAC NameN-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F
InChIInChI=1S/C12H13F2NO3S/c1-2-9(16)11-8(13)5-6-10(12(11)14)19(17,18)15-7-3-4-7/h5-7,15H,2-4H2,1H3
InChIKeyJWELRYMQOYQQPL-UHFFFAOYSA-N
XLogP2.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
4-chloro-N-cyclopropyl-2-fluoro-5-propanoylbenzenesulfonamide
CID 70931223
2,6-difluoro-3-(oxan-3-ylsulfamoyl)benzoic acid
CID 63363895
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
3-amino-2,4-difluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 107343661
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
3-(ethylaminomethyl)-2,4-difluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106086315
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide (CID 70931231) is N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide is CCC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F.
What is the InChIKey of N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide?
The InChIKey is JWELRYMQOYQQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3S/c1-2-9(16)11-8(13)5-6-10(12(11)14)19(17,18)15-7-3-4-7/h5-7,15H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide?
N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide has a molecular weight of 289.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-difluoro-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 70931231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).