1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine

C18H15N5O2S — CID 176978211

IUPAC1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2ccccc2)nn1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H15N5O2S/c19-17-21-18(20-15-8-2-1-3-9-15)22-23(17)26(24,25)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H3,19,20,21,22)
InChIKeyYGDUAQQSZNSZDO-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.99
Rot. Bonds4

About 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine

1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine (PubChem CID 176978211) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine
PubChem CID176978211
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2ccccc2)nn1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H15N5O2S/c19-17-21-18(20-15-8-2-1-3-9-15)22-23(17)26(24,25)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H3,19,20,21,22)
InChIKeyYGDUAQQSZNSZDO-UHFFFAOYSA-N
XLogP2.99
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-isoquinolin-3-yl-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976903
4-[(5-amino-1-naphthalen-1-ylsulfonyl-1,2,4-triazol-3-yl)amino]-2-chlorobenzonitrile
CID 176978191
1-(6-methyl-2-methylsulfonylpyrimidin-4-yl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 59650298
1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine
CID 121238392
1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976009
3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976315
4-[[5-amino-1-[(E)-3-phenylprop-2-enoyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 10134610
hydrazinyl naphthalene-2-sulfonate
CID 87641318
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
5-nitroso-2-N-phenylpyrimidine-2,4,6-triamine
CID 46705553
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
CID 87246277
CID 87246277

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine (CID 176978211) is 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine is Nc1nc(Nc2ccccc2)nn1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine?
The InChIKey is YGDUAQQSZNSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c19-17-21-18(20-15-8-2-1-3-9-15)22-23(17)26(24,25)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H3,19,20,21,22).
What are the key properties of 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine?
1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine has a molecular weight of 365.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-3-N-phenyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 176978211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).