N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide

C12H10ClN3O4S — CID 75456857

IUPACN-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H10ClN3O4S/c13-10-5-6-14-12(7-10)15-21(19,20)8-9-3-1-2-4-11(9)16(17)18/h1-7H,8H2,(H,14,15)
InChIKeyISDMBFRREWPJIH-UHFFFAOYSA-N
MW327.75 g/mol
LogP2.59
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide

N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 75456857) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID75456857
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC NameN-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H10ClN3O4S/c13-10-5-6-14-12(7-10)15-21(19,20)8-9-3-1-2-4-11(9)16(17)18/h1-7H,8H2,(H,14,15)
InChIKeyISDMBFRREWPJIH-UHFFFAOYSA-N
XLogP2.59
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 52.59
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'}

Analyze N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 104821779
N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 25047208
1-(2-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 62946479
N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 25039055
N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62022225
N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75449066
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
5-[(2-nitrophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567421
N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 104821758
1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 3734550
N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 71847210

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide (CID 75456857) is N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is ISDMBFRREWPJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c13-10-5-6-14-12(7-10)15-21(19,20)8-9-3-1-2-4-11(9)16(17)18/h1-7H,8H2,(H,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide?
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 327.75 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 75456857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).