N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide

C9H16IN3O2S — CID 107849067

IUPACN-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCCCCCI)c1ccn[nH]1
InChIInChI=1S/C9H16IN3O2S/c10-6-3-1-2-4-7-12-16(14,15)9-5-8-11-13-9/h5,8,12H,1-4,6-7H2,(H,11,13)
InChIKeyZHXDQKCIGMKQKF-UHFFFAOYSA-N
MW357.22 g/mol
LogP1.68
Rot. Bonds8

About N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide

N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107849067) has the molecular formula C9H16IN3O2S and a molecular weight of 357.22 g/mol. Its IUPAC name is N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
PubChem CID107849067
Molecular FormulaC9H16IN3O2S
Molecular Weight357.22 g/mol
Exact Mass357.00
IUPAC NameN-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCCCCCI)c1ccn[nH]1
InChIInChI=1S/C9H16IN3O2S/c10-6-3-1-2-4-7-12-16(14,15)9-5-8-11-13-9/h5,8,12H,1-4,6-7H2,(H,11,13)
InChIKeyZHXDQKCIGMKQKF-UHFFFAOYSA-N
XLogP1.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-[3-(2-bromoethoxy)propyl]-1H-pyrazole-5-sulfonamide
CID 106304886
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102692369
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide (CID 107849067) is N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCCCCCI)c1ccn[nH]1.
What is the InChIKey of N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZHXDQKCIGMKQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16IN3O2S/c10-6-3-1-2-4-7-12-16(14,15)9-5-8-11-13-9/h5,8,12H,1-4,6-7H2,(H,11,13).
What are the key properties of N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide?
N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 357.22 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107849067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).