4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C10H10IN3O2S — CID 54895455

IUPAC4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn[nH]c1)c1ccc(I)cc1
InChIInChI=1S/C10H10IN3O2S/c11-9-1-3-10(4-2-9)17(15,16)14-7-8-5-12-13-6-8/h1-6,14H,7H2,(H,12,13)
InChIKeyUSJIACAGFQUTAI-UHFFFAOYSA-N
MW363.18 g/mol
LogP1.49
Rot. Bonds4

About 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 54895455) has the molecular formula C10H10IN3O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID54895455
Molecular FormulaC10H10IN3O2S
Molecular Weight363.18 g/mol
Exact Mass362.95
IUPAC Name4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn[nH]c1)c1ccc(I)cc1
InChIInChI=1S/C10H10IN3O2S/c11-9-1-3-10(4-2-9)17(15,16)14-7-8-5-12-13-6-8/h1-6,14H,7H2,(H,12,13)
InChIKeyUSJIACAGFQUTAI-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 51.49
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

4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
2-[4-(1H-pyrazol-4-ylmethylsulfamoyl)phenoxy]acetic acid
CID 60999310
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
4-chloro-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61004535
2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
CID 61003075
3-(aminomethyl)-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106015927
2-amino-3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103171290
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 54895455) is 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cn[nH]c1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is USJIACAGFQUTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O2S/c11-9-1-3-10(4-2-9)17(15,16)14-7-8-5-12-13-6-8/h1-6,14H,7H2,(H,12,13).
What are the key properties of 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 54895455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).