3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

C15H11Cl2FN4O2S — CID 71461440

IUPAC3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN4O2S/c16-13-4-3-12(8-14(13)17)25(23,24)20-15-7-11(18)2-1-10(15)9-22-6-5-19-21-22/h1-8,20H,9H2
InChIKeyGRIFIHOPBXFUID-UHFFFAOYSA-N
MW401.25 g/mol
LogP3.57
Rot. Bonds5

About 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 71461440) has the molecular formula C15H11Cl2FN4O2S and a molecular weight of 401.25 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID71461440
Molecular FormulaC15H11Cl2FN4O2S
Molecular Weight401.25 g/mol
Exact Mass400.00
IUPAC Name3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN4O2S/c16-13-4-3-12(8-14(13)17)25(23,24)20-15-7-11(18)2-1-10(15)9-22-6-5-19-21-22/h1-8,20H,9H2
InChIKeyGRIFIHOPBXFUID-UHFFFAOYSA-N
XLogP3.57
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 15985912
N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71214976
3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71450658
3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71452487
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
CID 71454247
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71457815
4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71461439
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-cyanobenzenesulfonamide
CID 71456007
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71463165
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide
CID 71214748
3,4-dichloro-N-[5-fluoro-2-[(4-propyltriazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 71214920
2,4,5-trichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22202081

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 71461440) is 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is GRIFIHOPBXFUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN4O2S/c16-13-4-3-12(8-14(13)17)25(23,24)20-15-7-11(18)2-1-10(15)9-22-6-5-19-21-22/h1-8,20H,9H2.
What are the key properties of 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 401.25 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71461440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).