N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide

C9H7ClIN3O2S — CID 47364015

IUPACN-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1Cl)c1cn[nH]c1
InChIInChI=1S/C9H7ClIN3O2S/c10-8-3-6(11)1-2-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyKBQJXECCZZIPFE-UHFFFAOYSA-N
MW383.60 g/mol
LogP2.47
Rot. Bonds3

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

N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47364015) has the molecular formula C9H7ClIN3O2S and a molecular weight of 383.60 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID47364015
Molecular FormulaC9H7ClIN3O2S
Molecular Weight383.60 g/mol
Exact Mass382.90
IUPAC NameN-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1Cl)c1cn[nH]c1
InChIInChI=1S/C9H7ClIN3O2S/c10-8-3-6(11)1-2-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13)
InChIKeyKBQJXECCZZIPFE-UHFFFAOYSA-N
XLogP2.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.60
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(2-bromo-5-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 113231021
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
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
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 54937402
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014
N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 61248781
N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54937299
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107606873
N-(2-chloro-4-iodophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 107605710

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide (CID 47364015) is N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(I)cc1Cl)c1cn[nH]c1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is KBQJXECCZZIPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClIN3O2S/c10-8-3-6(11)1-2-9(8)14-17(15,16)7-4-12-13-5-7/h1-5,14H,(H,12,13).
What are the key properties of N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide?
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 383.60 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47364015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).