4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C16H18N4O2S2 — CID 57400516

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)cs1
InChIInChI=1S/C16H18N4O2S2/c1-10-16(11(2)20(4)18-10)19-24(21,22)14-7-5-13(6-8-14)15-9-23-12(3)17-15/h5-9,19H,1-4H3
InChIKeyNUSCTVWALUWLHF-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.27
Rot. Bonds4

About 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 57400516) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID57400516
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)cs1
InChIInChI=1S/C16H18N4O2S2/c1-10-16(11(2)20(4)18-10)19-24(21,22)14-7-5-13(6-8-14)15-9-23-12(3)17-15/h5-9,19H,1-4H3
InChIKeyNUSCTVWALUWLHF-UHFFFAOYSA-N
XLogP3.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 57400516) is 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is NUSCTVWALUWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-10-16(11(2)20(4)18-10)19-24(21,22)14-7-5-13(6-8-14)15-9-23-12(3)17-15/h5-9,19H,1-4H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 57400516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).