4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide

C12H11N3O4S — CID 2836751

IUPAC4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O4S/c1-9-5-6-10(8-11(9)15(16)17)20(18,19)14-12-4-2-3-7-13-12/h2-8H,1H3,(H,13,14)
InChIKeyWJZMWXPOPYYVGC-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide

4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 2836751) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide
PubChem CID2836751
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O4S/c1-9-5-6-10(8-11(9)15(16)17)20(18,19)14-12-4-2-3-7-13-12/h2-8H,1H3,(H,13,14)
InChIKeyWJZMWXPOPYYVGC-UHFFFAOYSA-N
XLogP2.10
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 3136220
4-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 611709
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
1-(4-Methylbenzenesulfonyl)-4-(3-nitropyridin-2-yl)piperazine
CID 9111347
N-(6-methylpyridin-2-yl)-3-nitrobenzenesulfonamide
CID 3105428
4-methyl-3-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 4918227
3-nitro-N-[(E)-1-pyridin-3-ylethylideneamino]benzenesulfonamide
CID 9646180
4-methyl-N-{2-[(pyridin-2-ylamino)methyl]phenyl}benzenesulfonamide
CID 1147309
4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide
CID 726556
2,4,6-trimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 798911
4-amino-N-(5-methyl-2-pyridinyl)Benzenesulfonamide
CID 3663786

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide (CID 2836751) is 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is WJZMWXPOPYYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-9-5-6-10(8-11(9)15(16)17)20(18,19)14-12-4-2-3-7-13-12/h2-8H,1H3,(H,13,14).
What are the key properties of 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide?
4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 293.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 2836751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).