3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide

C18H12ClF3N4O2S2 — CID 71263926

IUPAC3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2Cl)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C18H12ClF3N4O2S2/c1-26-8-14(12-4-2-10(6-15(12)19)18(20,21)22)13-5-3-11(7-16(13)26)30(27,28)25-17-23-9-24-29-17/h2-9H,1H3,(H,23,24,25)
InChIKeyUPGHKRVRAAZFBI-UHFFFAOYSA-N
MW472.90 g/mol
LogP5.17
Rot. Bonds4

About 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide

3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71263926) has the molecular formula C18H12ClF3N4O2S2 and a molecular weight of 472.90 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71263926
Molecular FormulaC18H12ClF3N4O2S2
Molecular Weight472.90 g/mol
Exact Mass472.00
IUPAC Name3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2Cl)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C18H12ClF3N4O2S2/c1-26-8-14(12-4-2-10(6-15(12)19)18(20,21)22)13-5-3-11(7-16(13)26)30(27,28)25-17-23-9-24-29-17/h2-9H,1H3,(H,23,24,25)
InChIKeyUPGHKRVRAAZFBI-UHFFFAOYSA-N
XLogP5.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.90
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-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 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71263926) is 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is Cn1cc(-c2ccc(C(F)(F)F)cc2Cl)c2ccc(S(=O)(=O)Nc3ncns3)cc21.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is UPGHKRVRAAZFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O2S2/c1-26-8-14(12-4-2-10(6-15(12)19)18(20,21)22)13-5-3-11(7-16(13)26)30(27,28)25-17-23-9-24-29-17/h2-9H,1H3,(H,23,24,25).
What are the key properties of 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 472.90 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71263926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).