N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H9N5O4S — CID 61275984

IUPACN-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C11H9N5O4S/c1-7-11(6-13-14-7)21(19,20)15-10-3-2-9(16(17)18)4-8(10)5-12/h2-4,6,15H,1H3,(H,13,14)
InChIKeyACXRVYIALNYYMD-UHFFFAOYSA-N
MW307.29 g/mol
LogP1.30
Rot. Bonds4

About N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61275984) has the molecular formula C11H9N5O4S and a molecular weight of 307.29 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61275984
Molecular FormulaC11H9N5O4S
Molecular Weight307.29 g/mol
Exact Mass307.04
IUPAC NameN-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C11H9N5O4S/c1-7-11(6-13-14-7)21(19,20)15-10-3-2-9(16(17)18)4-8(10)5-12/h2-4,6,15H,1H3,(H,13,14)
InChIKeyACXRVYIALNYYMD-UHFFFAOYSA-N
XLogP1.30
TPSA141.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929854
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
N-(2-bromo-4-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274012
N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275948
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62505948
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile
CID 62099209
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81313064
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
2-(2-cyano-4-nitroanilino)ethanesulfonamide
CID 43552415

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61275984) is N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C#N.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ACXRVYIALNYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4S/c1-7-11(6-13-14-7)21(19,20)15-10-3-2-9(16(17)18)4-8(10)5-12/h2-4,6,15H,1H3,(H,13,14).
What are the key properties of N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 307.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).