N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide

C17H13N5O2S — CID 99819631

IUPACN-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1nncn1-c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C17H13N5O2S/c23-25(24,15-10-4-6-13-7-5-11-18-16(13)15)21-17-20-19-12-22(17)14-8-2-1-3-9-14/h1-12H,(H,20,21)
InChIKeyCCQSMMLIFAKHJN-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.62
Rot. Bonds4

About N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide

N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide (PubChem CID 99819631) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
PubChem CID99819631
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC NameN-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1nncn1-c1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C17H13N5O2S/c23-25(24,15-10-4-6-13-7-5-11-18-16(13)15)21-17-20-19-12-22(17)14-8-2-1-3-9-14/h1-12H,(H,20,21)
InChIKeyCCQSMMLIFAKHJN-UHFFFAOYSA-N
XLogP2.62
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,5-dichloroimidazol-1-yl)phenyl]quinoline-8-sulfonamide
CID 3866993
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide
CID 140579955
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide
CID 3730212
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 35524432
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide (CID 99819631) is N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide is O=S(=O)(Nc1nncn1-c1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide?
The InChIKey is CCQSMMLIFAKHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c23-25(24,15-10-4-6-13-7-5-11-18-16(13)15)21-17-20-19-12-22(17)14-8-2-1-3-9-14/h1-12H,(H,20,21).
What are the key properties of N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide?
N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,2,4-triazol-3-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 99819631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).