N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide

C13H12ClN3O4S — CID 75522273

IUPACN-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide
SMILESCN(c1ccc(Cl)cn1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O4S/c1-16(13-7-6-11(14)8-15-13)22(20,21)9-10-4-2-3-5-12(10)17(18)19/h2-8H,9H2,1H3
InChIKeyYKHPYZDDUQIAMP-UHFFFAOYSA-N
MW341.78 g/mol
LogP2.61
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide

N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 75522273) has the molecular formula C13H12ClN3O4S and a molecular weight of 341.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide
PubChem CID75522273
Molecular FormulaC13H12ClN3O4S
Molecular Weight341.78 g/mol
Exact Mass341.02
IUPAC NameN-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide
SMILESCN(c1ccc(Cl)cn1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O4S/c1-16(13-7-6-11(14)8-15-13)22(20,21)9-10-4-2-3-5-12(10)17(18)19/h2-8H,9H2,1H3
InChIKeyYKHPYZDDUQIAMP-UHFFFAOYSA-N
XLogP2.61
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 52.61
H-Bond Donors ≤ 50
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-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522296
1-ethyl-2-nitrobenzene;(2-nitrophenyl)methanesulfonyl chloride
CID 160906769
2-methyl-2-[methyl-[(2-nitrophenyl)methylsulfonyl]amino]propanoic acid
CID 62818179
N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 97306348
2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61045396
N-methyl-1-(2-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297855
N-(cyanomethyl)-1-(2-nitrophenyl)-N-propylmethanesulfonamide
CID 62021060
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
3-chloro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]propane-1-sulfonamide
CID 79585651
N-[(3,4-dichlorophenyl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 25047208
N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propan-2-ylmethanesulfonamide
CID 62020510

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide (CID 75522273) is N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide is CN(c1ccc(Cl)cn1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is YKHPYZDDUQIAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4S/c1-16(13-7-6-11(14)8-15-13)22(20,21)9-10-4-2-3-5-12(10)17(18)19/h2-8H,9H2,1H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide?
N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 341.78 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-N-methyl-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 75522273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).