N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide

C8H9F3N2O2S — CID 174971792

IUPACN-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1cc[nH]c1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)7(2-3-7)13-16(14,15)6-1-4-12-5-6/h1,4-5,12-13H,2-3H2
InChIKeyYAKQRKFADHYODP-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.39
Rot. Bonds3

About N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide

N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide (PubChem CID 174971792) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
PubChem CID174971792
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1cc[nH]c1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)7(2-3-7)13-16(14,15)6-1-4-12-5-6/h1,4-5,12-13H,2-3H2
InChIKeyYAKQRKFADHYODP-UHFFFAOYSA-N
XLogP1.39
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide 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-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide (CID 174971792) is N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1cc[nH]c1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is YAKQRKFADHYODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)7(2-3-7)13-16(14,15)6-1-4-12-5-6/h1,4-5,12-13H,2-3H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide?
N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 254.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 174971792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).