N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide

C12H15F2NO4S2 — CID 71890473

IUPACN-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H15F2NO4S2/c1-15(8-9-2-3-9)21(18,19)11-6-4-10(5-7-11)20(16,17)12(13)14/h4-7,9,12H,2-3,8H2,1H3
InChIKeyGKBHCKFHXYLXEO-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.71
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide

N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide (PubChem CID 71890473) has the molecular formula C12H15F2NO4S2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide
PubChem CID71890473
Molecular FormulaC12H15F2NO4S2
Molecular Weight339.39 g/mol
Exact Mass339.04
IUPAC NameN-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H15F2NO4S2/c1-15(8-9-2-3-9)21(18,19)11-6-4-10(5-7-11)20(16,17)12(13)14/h4-7,9,12H,2-3,8H2,1H3
InChIKeyGKBHCKFHXYLXEO-UHFFFAOYSA-N
XLogP1.71
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide (CID 71890473) is N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide is CN(CC1CC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide?
The InChIKey is GKBHCKFHXYLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S2/c1-15(8-9-2-3-9)21(18,19)11-6-4-10(5-7-11)20(16,17)12(13)14/h4-7,9,12H,2-3,8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide?
N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(difluoromethylsulfonyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 71890473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).