N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide

C12H16N4O2S — CID 102807205

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1cn(C)nc1C
InChIInChI=1S/C12H16N4O2S/c1-9-11(8-16(3)14-9)15-19(17,18)12-7-5-4-6-10(12)13-2/h4-8,13,15H,1-3H3
InChIKeyLJECTKWJKJZXOU-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.57
Rot. Bonds4

About N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide

N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide (PubChem CID 102807205) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
PubChem CID102807205
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1cn(C)nc1C
InChIInChI=1S/C12H16N4O2S/c1-9-11(8-16(3)14-9)15-19(17,18)12-7-5-4-6-10(12)13-2/h4-8,13,15H,1-3H3
InChIKeyLJECTKWJKJZXOU-UHFFFAOYSA-N
XLogP1.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
CID 102806188
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 83089797
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803406
5-amino-2-chloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803345
5-amino-2-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803498
2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 17371559
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide (CID 102807205) is N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1cn(C)nc1C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide?
The InChIKey is LJECTKWJKJZXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-11(8-16(3)14-9)15-19(17,18)12-7-5-4-6-10(12)13-2/h4-8,13,15H,1-3H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 102807205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).