3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide

C12H10ClN3O4S — CID 75423615

IUPAC3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(Cl)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O4S/c1-8-5-12(14-7-11(8)16(17)18)15-21(19,20)10-4-2-3-9(13)6-10/h2-7H,1H3,(H,14,15)
InChIKeyMODIJKDNBHOHKE-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.75
Rot. Bonds4

About 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide

3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide (PubChem CID 75423615) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide
PubChem CID75423615
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC Name3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(Cl)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O4S/c1-8-5-12(14-7-11(8)16(17)18)15-21(19,20)10-4-2-3-9(13)6-10/h2-7H,1H3,(H,14,15)
InChIKeyMODIJKDNBHOHKE-UHFFFAOYSA-N
XLogP2.75
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 52.75
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

3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
2-(3-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine
CID 133364013
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide
CID 43217809
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide (CID 75423615) is 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)ncc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide?
The InChIKey is MODIJKDNBHOHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c1-8-5-12(14-7-11(8)16(17)18)15-21(19,20)10-4-2-3-9(13)6-10/h2-7H,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide?
3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide has a molecular weight of 327.75 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 75423615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).