N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide

C13H13N3O4S — CID 75449066

IUPACN-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESCc1ccncc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O4S/c1-10-6-7-14-8-12(10)15-21(19,20)9-11-4-2-3-5-13(11)16(17)18/h2-8,15H,9H2,1H3
InChIKeyIZNRDWYBRKIBCG-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.24
Rot. Bonds5

About N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide

N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 75449066) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID75449066
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESCc1ccncc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O4S/c1-10-6-7-14-8-12(10)15-21(19,20)9-11-4-2-3-5-13(11)16(17)18/h2-8,15H,9H2,1H3
InChIKeyIZNRDWYBRKIBCG-UHFFFAOYSA-N
XLogP2.24
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.24
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

4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
N-(2-cyano-5-methylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 3780515
N-(2-chloro-4,6-dimethylphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 25039055
1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide
CID 17257593
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
N-[4-(benzenesulfonyl)thiophen-3-yl]-1-(2-nitrophenyl)methanesulfonamide
CID 3447803
N-(4-hydroxyphenyl)-1-(2-nitrophenyl)methanesulfonamide
CID 62022225
1-(2-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 62946479
N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 71847210
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 79529527
N-[2-(ethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 62664934

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide (CID 75449066) is N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide is Cc1ccncc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is IZNRDWYBRKIBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-10-6-7-14-8-12(10)15-21(19,20)9-11-4-2-3-5-13(11)16(17)18/h2-8,15H,9H2,1H3.
What are the key properties of N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide?
N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 307.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 75449066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).