N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide

C10H19N3O3S — CID 113451663

IUPACN-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C10H19N3O3S/c1-13-10(6-8-11-13)17(15,16)12-7-4-2-3-5-9-14/h6,8,12,14H,2-5,7,9H2,1H3
InChIKeyUXJRARSJWCKAFF-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.25
Rot. Bonds8

About N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide

N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 113451663) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
PubChem CID113451663
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C10H19N3O3S/c1-13-10(6-8-11-13)17(15,16)12-7-4-2-3-5-9-14/h6,8,12,14H,2-5,7,9H2,1H3
InChIKeyUXJRARSJWCKAFF-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 113444065
N-(4-bromopentyl)-2-methylpyrazole-3-sulfonamide
CID 106135642
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide (CID 113451663) is N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is UXJRARSJWCKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-13-10(6-8-11-13)17(15,16)12-7-4-2-3-5-9-14/h6,8,12,14H,2-5,7,9H2,1H3.
What are the key properties of N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide?
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 113451663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).