N-cyclopropyl-3,5-difluorobenzenesulfonamide

C9H9F2NO2S — CID 60648847

IUPACN-cyclopropyl-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2NO2S/c10-6-3-7(11)5-9(4-6)15(13,14)12-8-1-2-8/h3-5,8,12H,1-2H2
InChIKeyBBUNVYJVBAKVEH-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.41
Rot. Bonds3

About N-cyclopropyl-3,5-difluorobenzenesulfonamide

N-cyclopropyl-3,5-difluorobenzenesulfonamide (PubChem CID 60648847) has the molecular formula C9H9F2NO2S and a molecular weight of 233.24 g/mol. Its IUPAC name is N-cyclopropyl-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3,5-difluorobenzenesulfonamide
PubChem CID60648847
Molecular FormulaC9H9F2NO2S
Molecular Weight233.24 g/mol
Exact Mass233.03
IUPAC NameN-cyclopropyl-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C9H9F2NO2S/c10-6-3-7(11)5-9(4-6)15(13,14)12-8-1-2-8/h3-5,8,12H,1-2H2
InChIKeyBBUNVYJVBAKVEH-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide
CID 43597821
N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,5-difluorobenzenesulfonamide
CID 126769864
3,5-dichloro-N-cyclopropylbenzenesulfonamide
CID 26947993
2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34268559
3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 55204348
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
4-chloro-N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 81457354
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652
3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111370
3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide
CID 63321949

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-3,5-difluorobenzenesulfonamide (CID 60648847) is N-cyclopropyl-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3,5-difluorobenzenesulfonamide is O=S(=O)(NC1CC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-cyclopropyl-3,5-difluorobenzenesulfonamide?
The InChIKey is BBUNVYJVBAKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2S/c10-6-3-7(11)5-9(4-6)15(13,14)12-8-1-2-8/h3-5,8,12H,1-2H2.
What are the key properties of N-cyclopropyl-3,5-difluorobenzenesulfonamide?
N-cyclopropyl-3,5-difluorobenzenesulfonamide has a molecular weight of 233.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 60648847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).