1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide

C12H11ClF3N3O2S — CID 3798543

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H11ClF3N3O2S/c1-18(2)22(20,21)10-4-3-5-19(10)11-9(13)6-8(7-17-11)12(14,15)16/h3-7H,1-2H3
InChIKeyZVWKKUSVULRIBK-UHFFFAOYSA-N
MW353.75 g/mol
LogP2.79
Rot. Bonds3

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide (PubChem CID 3798543) has the molecular formula C12H11ClF3N3O2S and a molecular weight of 353.75 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide
PubChem CID3798543
Molecular FormulaC12H11ClF3N3O2S
Molecular Weight353.75 g/mol
Exact Mass353.02
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H11ClF3N3O2S/c1-18(2)22(20,21)10-4-3-5-19(10)11-9(13)6-8(7-17-11)12(14,15)16/h3-7H,1-2H3
InChIKeyZVWKKUSVULRIBK-UHFFFAOYSA-N
XLogP2.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.75
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-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 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide (CID 3798543) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide is CN(C)S(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide?
The InChIKey is ZVWKKUSVULRIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O2S/c1-18(2)22(20,21)10-4-3-5-19(10)11-9(13)6-8(7-17-11)12(14,15)16/h3-7H,1-2H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide has a molecular weight of 353.75 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrole-2-sulfonamide is sourced from PubChem (CID 3798543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).