1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide

C15H18N6O2S — CID 122275647

IUPAC1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cn1C
InChIInChI=1S/C15H18N6O2S/c1-11-19-14(10-20(11)2)24(22,23)18-8-12-5-4-6-16-15(12)13-7-17-21(3)9-13/h4-7,9-10,18H,8H2,1-3H3
InChIKeyYHORBVCZURCSRY-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.00
Rot. Bonds5

About 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide (PubChem CID 122275647) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
PubChem CID122275647
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cn1C
InChIInChI=1S/C15H18N6O2S/c1-11-19-14(10-20(11)2)24(22,23)18-8-12-5-4-6-16-15(12)13-7-17-21(3)9-13/h4-7,9-10,18H,8H2,1-3H3
InChIKeyYHORBVCZURCSRY-UHFFFAOYSA-N
XLogP1.00
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide (CID 122275647) is 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide?
The InChIKey is YHORBVCZURCSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-11-19-14(10-20(11)2)24(22,23)18-8-12-5-4-6-16-15(12)13-7-17-21(3)9-13/h4-7,9-10,18H,8H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122275647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).