N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide

C10H11F2NO2S — CID 2799390

IUPACN-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO2S/c11-8-3-4-10(9(12)5-8)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyGWXJVQJJOBDPMG-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.65
Rot. Bonds4

About N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide

N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide (PubChem CID 2799390) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide
PubChem CID2799390
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC NameN-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO2S/c11-8-3-4-10(9(12)5-8)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyGWXJVQJJOBDPMG-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide (CID 2799390) is N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(F)cc1F.
What is the InChIKey of N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is GWXJVQJJOBDPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c11-8-3-4-10(9(12)5-8)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2.
What are the key properties of N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide?
N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 247.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2799390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).