N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide

C17H15F5N2O2S — CID 24947802

IUPACN-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(Nc2ccc(F)cc2F)cc1C(F)(F)F
InChIInChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
InChIKeySDRWZARPOTZJEG-UHFFFAOYSA-N
MW406.38 g/mol
LogP4.42
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide

N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24947802) has the molecular formula C17H15F5N2O2S and a molecular weight of 406.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24947802
Molecular FormulaC17H15F5N2O2S
Molecular Weight406.38 g/mol
Exact Mass406.08
IUPAC NameN-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(Nc2ccc(F)cc2F)cc1C(F)(F)F
InChIInChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
InChIKeySDRWZARPOTZJEG-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide (CID 24947802) is N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(Nc2ccc(F)cc2F)cc1C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SDRWZARPOTZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2.
What are the key properties of N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide?
N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 406.38 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24947802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).