N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide

C13H17F2NO2S — CID 78787052

IUPACN-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2S/c1-2-8-16(9-10-6-7-10)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,10H,2,6-9H2,1H3
InChIKeyHIBSGHLADAOUES-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.78
Rot. Bonds6

About N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide

N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide (PubChem CID 78787052) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
PubChem CID78787052
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC NameN-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2S/c1-2-8-16(9-10-6-7-10)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,10H,2,6-9H2,1H3
InChIKeyHIBSGHLADAOUES-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide (CID 78787052) is N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide?
The InChIKey is HIBSGHLADAOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-2-8-16(9-10-6-7-10)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,10H,2,6-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide?
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide has a molecular weight of 289.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 78787052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).