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

C12H14ClIN4O2S — CID 106006932

IUPACN-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H14ClIN4O2S/c1-2-15-6-8-7-16-17-12(8)21(19,20)18-11-4-3-9(14)5-10(11)13/h3-5,7,15,18H,2,6H2,1H3,(H,16,17)
InChIKeyCWJPONUGESXJOV-UHFFFAOYSA-N
MW440.69 g/mol
LogP2.58
Rot. Bonds6

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

N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106006932) has the molecular formula C12H14ClIN4O2S and a molecular weight of 440.69 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106006932
Molecular FormulaC12H14ClIN4O2S
Molecular Weight440.69 g/mol
Exact Mass439.96
IUPAC NameN-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H14ClIN4O2S/c1-2-15-6-8-7-16-17-12(8)21(19,20)18-11-4-3-9(14)5-10(11)13/h3-5,7,15,18H,2,6H2,1H3,(H,16,17)
InChIKeyCWJPONUGESXJOV-UHFFFAOYSA-N
XLogP2.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.69
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
N-(4-bromo-2-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058502
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086121
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106018754
4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 107509170
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106056684
N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089323
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106030354
N-(2-chloro-4-iodophenyl)-4-(ethylamino)pyridine-3-sulfonamide
CID 107605993
N-(2-bromo-6-fluorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089680

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106006932) is N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is CWJPONUGESXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN4O2S/c1-2-15-6-8-7-16-17-12(8)21(19,20)18-11-4-3-9(14)5-10(11)13/h3-5,7,15,18H,2,6H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 440.69 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106006932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).