N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide

C10H6FN5O4S — CID 79497167

IUPACN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide
SMILESN#Cc1cn[nH]c1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H6FN5O4S/c11-8-2-1-7(3-9(8)16(17)18)21(19,20)15-10-6(4-12)5-13-14-10/h1-3,5H,(H2,13,14,15)
InChIKeyBACJGMZZHBCJJD-UHFFFAOYSA-N
MW311.25 g/mol
LogP1.13
Rot. Bonds4

About N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide

N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide (PubChem CID 79497167) has the molecular formula C10H6FN5O4S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide
PubChem CID79497167
Molecular FormulaC10H6FN5O4S
Molecular Weight311.25 g/mol
Exact Mass311.01
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide
SMILESN#Cc1cn[nH]c1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H6FN5O4S/c11-8-2-1-7(3-9(8)16(17)18)21(19,20)15-10-6(4-12)5-13-14-10/h1-3,5H,(H2,13,14,15)
InChIKeyBACJGMZZHBCJJD-UHFFFAOYSA-N
XLogP1.13
TPSA141.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 51.13
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

4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
6-cyano-N-(4-cyano-1H-pyrazol-5-yl)pyridine-3-sulfonamide
CID 115897741
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
CID 79503678
4-fluoro-3-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 60983705
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 4793013
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327642
3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
3-fluoro-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 82854963
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide
CID 25039217
N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 100820756

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide (CID 79497167) is N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide is N#Cc1cn[nH]c1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide?
The InChIKey is BACJGMZZHBCJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O4S/c11-8-2-1-7(3-9(8)16(17)18)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 N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide?
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide has a molecular weight of 311.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide is sourced from PubChem (CID 79497167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).