N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide

C9H16ClN3O2S — CID 107322765

IUPACN-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCCCCCl
InChIInChI=1S/C9H16ClN3O2S/c1-13-9(5-8-11-13)16(14,15)12-7-4-2-3-6-10/h5,8,12H,2-4,6-7H2,1H3
InChIKeySHGQDTLWJMICOW-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.11
Rot. Bonds7

About N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide

N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 107322765) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
PubChem CID107322765
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC NameN-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCCCCCCl
InChIInChI=1S/C9H16ClN3O2S/c1-13-9(5-8-11-13)16(14,15)12-7-4-2-3-6-10/h5,8,12H,2-4,6-7H2,1H3
InChIKeySHGQDTLWJMICOW-UHFFFAOYSA-N
XLogP1.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 51.11
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'}

Analyze N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
N-(4-bromopentyl)-2-methylpyrazole-3-sulfonamide
CID 106135642
5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 113444065
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710326
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide (CID 107322765) is N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is SHGQDTLWJMICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-13-9(5-8-11-13)16(14,15)12-7-4-2-3-6-10/h5,8,12H,2-4,6-7H2,1H3.
What are the key properties of N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide?
N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 265.77 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 107322765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).