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

C10H18BrN3O2S — CID 107848847

IUPACN-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCCCCCBr
InChIInChI=1S/C10H18BrN3O2S/c1-14-10(6-9-12-14)17(15,16)13-8-5-3-2-4-7-11/h6,9,13H,2-5,7-8H2,1H3
InChIKeyJJWBXFMWIBHXPL-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.65
Rot. Bonds8

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

N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 107848847) has the molecular formula C10H18BrN3O2S and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
PubChem CID107848847
Molecular FormulaC10H18BrN3O2S
Molecular Weight324.24 g/mol
Exact Mass323.03
IUPAC NameN-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCCCCCBr
InChIInChI=1S/C10H18BrN3O2S/c1-14-10(6-9-12-14)17(15,16)13-8-5-3-2-4-7-11/h6,9,13H,2-5,7-8H2,1H3
InChIKeyJJWBXFMWIBHXPL-UHFFFAOYSA-N
XLogP1.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 51.65
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'}

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Related Compounds

N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
N-(4-bromopentyl)-2-methylpyrazole-3-sulfonamide
CID 106135642
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 113444065
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide (CID 107848847) is N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is JJWBXFMWIBHXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2S/c1-14-10(6-9-12-14)17(15,16)13-8-5-3-2-4-7-11/h6,9,13H,2-5,7-8H2,1H3.
What are the key properties of N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide?
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 324.24 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 107848847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).