N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride

C18H22ClF3N2O2S2 — CID 140544082

IUPACN-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)cc2)C1.Cl
InChIInChI=1S/C18H21F3N2O2S2.ClH/c1-2-10-23-11-9-14(12-23)13-3-5-15(6-4-13)22-27(24,25)17-8-7-16(26-17)18(19,20)21;/h3-8,14,22H,2,9-12H2,1H3;1H/t14-;/m1./s1
InChIKeyJLMDUDVQKPLAHK-PFEQFJNWSA-N
MW454.97 g/mol
LogP5.19
Rot. Bonds6

About N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride

N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 140544082) has the molecular formula C18H22ClF3N2O2S2 and a molecular weight of 454.97 g/mol. Its IUPAC name is N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID140544082
Molecular FormulaC18H22ClF3N2O2S2
Molecular Weight454.97 g/mol
Exact Mass454.08
IUPAC NameN-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)cc2)C1.Cl
InChIInChI=1S/C18H21F3N2O2S2.ClH/c1-2-10-23-11-9-14(12-23)13-3-5-15(6-4-13)22-27(24,25)17-8-7-16(26-17)18(19,20)21;/h3-8,14,22H,2,9-12H2,1H3;1H/t14-;/m1./s1
InChIKeyJLMDUDVQKPLAHK-PFEQFJNWSA-N
XLogP5.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.97
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride (CID 140544082) is N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride is CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)cc2)C1.Cl.
What is the InChIKey of N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is JLMDUDVQKPLAHK-PFEQFJNWSA-N. The full InChI is InChI=1S/C18H21F3N2O2S2.ClH/c1-2-10-23-11-9-14(12-23)13-3-5-15(6-4-13)22-27(24,25)17-8-7-16(26-17)18(19,20)21;/h3-8,14,22H,2,9-12H2,1H3;1H/t14-;/m1./s1.
What are the key properties of N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride?
N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 454.97 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 140544082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).