5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide

C12H16N4O3S — CID 104617067

IUPAC5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C12H16N4O3S/c1-7-8(2)14-15-12(7)16-20(17,18)11-6-9(13)4-5-10(11)19-3/h4-6H,13H2,1-3H3,(H2,14,15,16)
InChIKeyNANBRYRCOQZPMO-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.42
Rot. Bonds4

About 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide

5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide (PubChem CID 104617067) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
PubChem CID104617067
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C12H16N4O3S/c1-7-8(2)14-15-12(7)16-20(17,18)11-6-9(13)4-5-10(11)19-3/h4-6H,13H2,1-3H3,(H2,14,15,16)
InChIKeyNANBRYRCOQZPMO-UHFFFAOYSA-N
XLogP1.42
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-dimethylbenzenesulfonamide
CID 104617090
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112699522
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60808972
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 115750900
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
CID 61472007
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61285259
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 115750918

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide (CID 104617067) is 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide?
The InChIKey is NANBRYRCOQZPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-8(2)14-15-12(7)16-20(17,18)11-6-9(13)4-5-10(11)19-3/h4-6H,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide?
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 104617067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).