4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide

C12H10ClN3O4S — CID 43217809

IUPAC4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10ClN3O4S/c1-8-3-2-6-14-12(8)15-21(19,20)9-4-5-10(13)11(7-9)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyLUKKUHFYWYSRLO-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide

4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide (PubChem CID 43217809) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide
PubChem CID43217809
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC Name4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10ClN3O4S/c1-8-3-2-6-14-12(8)15-21(19,20)9-4-5-10(13)11(7-9)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyLUKKUHFYWYSRLO-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

5-chloro-N-(3-methyl-2-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80741697
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
4-chloro-N-(3-nitro-2-pyridinyl)benzenesulfonamide;hydrochloride
CID 134119435
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 81438403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide (CID 43217809) is 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide is Cc1cccnc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide?
The InChIKey is LUKKUHFYWYSRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c1-8-3-2-6-14-12(8)15-21(19,20)9-4-5-10(13)11(7-9)16(17)18/h2-7H,1H3,(H,14,15).
What are the key properties of 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide?
4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide 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 4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43217809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).