N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide

C18H25F3N2O2S — CID 24946180

IUPACN-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CC1CC1)c1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O2S/c1-2-9-23(12-14-5-6-14)15-7-8-17(16(10-15)18(19,20)21)26(24,25)22-11-13-3-4-13/h7-8,10,13-14,22H,2-6,9,11-12H2,1H3
InChIKeySZZWOOZTTLCETB-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.02
Rot. Bonds9

About N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide

N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24946180) has the molecular formula C18H25F3N2O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24946180
Molecular FormulaC18H25F3N2O2S
Molecular Weight390.47 g/mol
Exact Mass390.16
IUPAC NameN-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CC1CC1)c1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O2S/c1-2-9-23(12-14-5-6-14)15-7-8-17(16(10-15)18(19,20)21)26(24,25)22-11-13-3-4-13/h7-8,10,13-14,22H,2-6,9,11-12H2,1H3
InChIKeySZZWOOZTTLCETB-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide (CID 24946180) is N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide is CCCN(CC1CC1)c1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SZZWOOZTTLCETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2S/c1-2-9-23(12-14-5-6-14)15-7-8-17(16(10-15)18(19,20)21)26(24,25)22-11-13-3-4-13/h7-8,10,13-14,22H,2-6,9,11-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide?
N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[cyclopropylmethyl(propyl)amino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24946180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).