4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide

C17H18N4O2S2 — CID 10362067

IUPAC4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide
SMILESCC(C)Sc1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H18N4O2S2/c1-12(2)24-17-19-16(13-6-4-3-5-7-13)21(20-17)14-8-10-15(11-9-14)25(18,22)23/h3-12H,1-2H3,(H2,18,22,23)
InChIKeyDABFWIKYQVCBQJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.08
Rot. Bonds5

About 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide

4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide (PubChem CID 10362067) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide
PubChem CID10362067
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide
SMILESCC(C)Sc1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H18N4O2S2/c1-12(2)24-17-19-16(13-6-4-3-5-7-13)21(20-17)14-8-10-15(11-9-14)25(18,22)23/h3-12H,1-2H3,(H2,18,22,23)
InChIKeyDABFWIKYQVCBQJ-UHFFFAOYSA-N
XLogP3.08
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide (CID 10362067) is 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide is CC(C)Sc1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide?
The InChIKey is DABFWIKYQVCBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-12(2)24-17-19-16(13-6-4-3-5-7-13)21(20-17)14-8-10-15(11-9-14)25(18,22)23/h3-12H,1-2H3,(H2,18,22,23).
What are the key properties of 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide?
4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide has a molecular weight of 374.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 10362067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).