2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide

C10H6ClN5O4S — CID 79497162

IUPAC2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
SMILESN#Cc1cn[nH]c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H6ClN5O4S/c11-8-2-1-7(16(17)18)3-9(8)21(19,20)15-10-6(4-12)5-13-14-10/h1-3,5H,(H2,13,14,15)
InChIKeyZFZSNOYRAROGKD-UHFFFAOYSA-N
MW327.71 g/mol
LogP1.64
Rot. Bonds4

About 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide

2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide (PubChem CID 79497162) has the molecular formula C10H6ClN5O4S and a molecular weight of 327.71 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
PubChem CID79497162
Molecular FormulaC10H6ClN5O4S
Molecular Weight327.71 g/mol
Exact Mass326.98
IUPAC Name2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
SMILESN#Cc1cn[nH]c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H6ClN5O4S/c11-8-2-1-7(16(17)18)3-9(8)21(19,20)15-10-6(4-12)5-13-14-10/h1-3,5H,(H2,13,14,15)
InChIKeyZFZSNOYRAROGKD-UHFFFAOYSA-N
XLogP1.64
TPSA141.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.71
LogP ≤ 51.64
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

2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
CID 79503678
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide
CID 104620991
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 79497167
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide
CID 25039217
N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275984
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050
4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 60639935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide (CID 79497162) is 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide is N#Cc1cn[nH]c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide?
The InChIKey is ZFZSNOYRAROGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O4S/c11-8-2-1-7(16(17)18)3-9(8)21(19,20)15-10-6(4-12)5-13-14-10/h1-3,5H,(H2,13,14,15).
What are the key properties of 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide?
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide has a molecular weight of 327.71 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 79497162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).