2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide

C11H13N5O4S — CID 62157367

IUPAC2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide
SMILESCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C
InChIInChI=1S/C11H13N5O4S/c1-12-9-7-8(16(17)18)3-4-10(9)21(19,20)14-11-5-6-13-15(11)2/h3-7,12,14H,1-2H3
InChIKeyQSOHATFBPMFHQD-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.17
Rot. Bonds5

About 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide

2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide (PubChem CID 62157367) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide
PubChem CID62157367
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide
SMILESCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C
InChIInChI=1S/C11H13N5O4S/c1-12-9-7-8(16(17)18)3-4-10(9)21(19,20)14-11-5-6-13-15(11)2/h3-7,12,14H,1-2H3
InChIKeyQSOHATFBPMFHQD-UHFFFAOYSA-N
XLogP1.17
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115992869
2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576
3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 79889831
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
2-(methylamino)-4-nitro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106197683
2-(methylamino)-N-(3-methylsulfanylpropyl)-4-nitrobenzenesulfonamide
CID 63962710
N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62163370
N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147494
N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62150039
N-(4-methoxybutyl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62158579
2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 62150398
2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 62161256

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide (CID 62157367) is 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide is CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C.
What is the InChIKey of 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide?
The InChIKey is QSOHATFBPMFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-12-9-7-8(16(17)18)3-4-10(9)21(19,20)14-11-5-6-13-15(11)2/h3-7,12,14H,1-2H3.
What are the key properties of 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide?
2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide has a molecular weight of 311.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-methylpyrazol-3-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62157367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).