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

C9H7ClN4O4S — CID 61248781

IUPACN-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C9H7ClN4O4S/c10-8-2-1-6(14(15)16)3-9(8)13-19(17,18)7-4-11-12-5-7/h1-5,13H,(H,11,12)
InChIKeyRJTMIBUMTWHKMI-UHFFFAOYSA-N
MW302.70 g/mol
LogP1.77
Rot. Bonds4

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

N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61248781) has the molecular formula C9H7ClN4O4S and a molecular weight of 302.70 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61248781
Molecular FormulaC9H7ClN4O4S
Molecular Weight302.70 g/mol
Exact Mass301.99
IUPAC NameN-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C9H7ClN4O4S/c10-8-2-1-6(14(15)16)3-9(8)13-19(17,18)7-4-11-12-5-7/h1-5,13H,(H,11,12)
InChIKeyRJTMIBUMTWHKMI-UHFFFAOYSA-N
XLogP1.77
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.70
LogP ≤ 51.77
H-Bond Donors ≤ 52
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-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 62913782
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide
CID 47363917
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide (CID 61248781) is N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide is O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RJTMIBUMTWHKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O4S/c10-8-2-1-6(14(15)16)3-9(8)13-19(17,18)7-4-11-12-5-7/h1-5,13H,(H,11,12).
What are the key properties of N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide?
N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 302.70 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61248781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).