N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C16H18N6O2S — CID 22434350

IUPACN-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1[nH]nc(-n2cnnc2)c1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H18N6O2S/c1-11-15(16(20-19-11)22-9-17-18-10-22)21-25(23,24)14-7-6-12-4-2-3-5-13(12)8-14/h6-10,21H,2-5H2,1H3,(H,19,20)
InChIKeyJRVSXRVDMZIVOK-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.98
Rot. Bonds4

About N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 22434350) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID22434350
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC NameN-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1[nH]nc(-n2cnnc2)c1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H18N6O2S/c1-11-15(16(20-19-11)22-9-17-18-10-22)21-25(23,24)14-7-6-12-4-2-3-5-13(12)8-14/h6-10,21H,2-5H2,1H3,(H,19,20)
InChIKeyJRVSXRVDMZIVOK-UHFFFAOYSA-N
XLogP1.98
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122356712
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 61022852
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 166374396
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35548958
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110281086
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 167774919
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110734864
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 110280668

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 22434350) is N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1[nH]nc(-n2cnnc2)c1NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JRVSXRVDMZIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-11-15(16(20-19-11)22-9-17-18-10-22)21-25(23,24)14-7-6-12-4-2-3-5-13(12)8-14/h6-10,21H,2-5H2,1H3,(H,19,20).
What are the key properties of N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 358.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 22434350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).