4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C17H17F3N2O2S — CID 24948368

IUPAC4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(Nc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h1-5,8-10,12,21-22H,6-7,11H2
InChIKeyFSNZQFMQPKGZOB-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.14
Rot. Bonds6

About 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide

4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24948368) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24948368
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(Nc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h1-5,8-10,12,21-22H,6-7,11H2
InChIKeyFSNZQFMQPKGZOB-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 24948368) is 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(Nc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FSNZQFMQPKGZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h1-5,8-10,12,21-22H,6-7,11H2.
What are the key properties of 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24948368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).