N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide

C9H16IN3O2S — CID 107322883

IUPACN-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCCCI)cn1
InChIInChI=1S/C9H16IN3O2S/c1-13-8-9(7-11-13)16(14,15)12-6-4-2-3-5-10/h7-8,12H,2-6H2,1H3
InChIKeyODQCUYRYRFQKGK-UHFFFAOYSA-N
MW357.22 g/mol
LogP1.30
Rot. Bonds7

About N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide

N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 107322883) has the molecular formula C9H16IN3O2S and a molecular weight of 357.22 g/mol. Its IUPAC name is N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
PubChem CID107322883
Molecular FormulaC9H16IN3O2S
Molecular Weight357.22 g/mol
Exact Mass357.00
IUPAC NameN-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCCCI)cn1
InChIInChI=1S/C9H16IN3O2S/c1-13-8-9(7-11-13)16(14,15)12-6-4-2-3-5-10/h7-8,12H,2-6H2,1H3
InChIKeyODQCUYRYRFQKGK-UHFFFAOYSA-N
XLogP1.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
CID 77036940
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935
N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide
CID 62498133
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide (CID 107322883) is N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCCCCI)cn1.
What is the InChIKey of N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is ODQCUYRYRFQKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16IN3O2S/c1-13-8-9(7-11-13)16(14,15)12-6-4-2-3-5-10/h7-8,12H,2-6H2,1H3.
What are the key properties of N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide?
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 357.22 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 107322883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).