N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide

C9H7Cl2N5O4S — CID 21291161

IUPACN-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1c([N+](=O)[O-])cnn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N5O4S/c1-21(19,20)14-9-7(16(17)18)4-13-15(9)8-6(11)2-5(10)3-12-8/h2-4,14H,1H3
InChIKeyGJOPXXRTWNJJEZ-UHFFFAOYSA-N
MW352.16 g/mol
LogP1.85
Rot. Bonds4

About N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide

N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide (PubChem CID 21291161) has the molecular formula C9H7Cl2N5O4S and a molecular weight of 352.16 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide
PubChem CID21291161
Molecular FormulaC9H7Cl2N5O4S
Molecular Weight352.16 g/mol
Exact Mass350.96
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1c([N+](=O)[O-])cnn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N5O4S/c1-21(19,20)14-9-7(16(17)18)4-13-15(9)8-6(11)2-5(10)3-12-8/h2-4,14H,1H3
InChIKeyGJOPXXRTWNJJEZ-UHFFFAOYSA-N
XLogP1.85
TPSA120.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-(3,5-dichloro-2-pyridinyl)-4-(3-methylsulfonyl-4-nitrophenyl)piperazine
CID 133400573
N-[1-[3-chloro-5-(trifluoromethoxy)-2-pyridinyl]-4-nitropyrazol-5-yl]propanamide
CID 57112938
5-methoxy-4-nitro-1-(2,4,6-trichlorophenyl)pyrazole
CID 21292470
4-[[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]amino]-3-nitrobenzonitrile
CID 133377236
N-[1-[3,6-dichloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitropyrazol-5-yl]propanamide
CID 10883837
N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 71252515
N-[1-(3-chloro-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanesulfonamide
CID 133304647
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 108781459
1-methyl-5-methylsulfonyl-4-nitropyrazole
CID 105457047
5-methyl-1-(4-methylsulfonylphenyl)-4-nitropyrazole
CID 69093432
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide
CID 22889982

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide (CID 21291161) is N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide is CS(=O)(=O)Nc1c([N+](=O)[O-])cnn1-c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide?
The InChIKey is GJOPXXRTWNJJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O4S/c1-21(19,20)14-9-7(16(17)18)4-13-15(9)8-6(11)2-5(10)3-12-8/h2-4,14H,1H3.
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide?
N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide has a molecular weight of 352.16 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide is sourced from PubChem (CID 21291161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).