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

C18H25F3N2O2S — CID 24946536

IUPAC4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NC2CCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C18H25F3N2O2S/c19-18(20,21)16-11-15(23-14-5-3-1-2-4-6-14)9-10-17(16)26(24,25)22-12-13-7-8-13/h9-11,13-14,22-23H,1-8,12H2
InChIKeyXRTKQERZAXKTBR-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.53
Rot. Bonds6

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

4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24946536) has the molecular formula C18H25F3N2O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24946536
Molecular FormulaC18H25F3N2O2S
Molecular Weight390.47 g/mol
Exact Mass390.16
IUPAC Name4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NC2CCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C18H25F3N2O2S/c19-18(20,21)16-11-15(23-14-5-3-1-2-4-6-14)9-10-17(16)26(24,25)22-12-13-7-8-13/h9-11,13-14,22-23H,1-8,12H2
InChIKeyXRTKQERZAXKTBR-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 24946536) is 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(NC2CCCCCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XRTKQERZAXKTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2S/c19-18(20,21)16-11-15(23-14-5-3-1-2-4-6-14)9-10-17(16)26(24,25)22-12-13-7-8-13/h9-11,13-14,22-23H,1-8,12H2.
What are the key properties of 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24946536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).