N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide

C9H16ClN3O2S — CID 107206389

IUPACN-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(CCCCCCl)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H16ClN3O2S/c1-13(8-4-2-3-6-10)16(14,15)9-5-7-11-12-9/h5,7H,2-4,6,8H2,1H3,(H,11,12)
InChIKeySEHLXNZXVDAIST-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.44
Rot. Bonds7

About N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide

N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide (PubChem CID 107206389) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
PubChem CID107206389
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC NameN-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(CCCCCCl)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H16ClN3O2S/c1-13(8-4-2-3-6-10)16(14,15)9-5-7-11-12-9/h5,7H,2-4,6,8H2,1H3,(H,11,12)
InChIKeySEHLXNZXVDAIST-UHFFFAOYSA-N
XLogP1.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691082
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013
N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
CID 107206469
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102693924
N-(2-chloroethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102693931
N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide
CID 102692275
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691846
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690547
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 107206454
N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692091
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide (CID 107206389) is N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide is CN(CCCCCCl)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide?
The InChIKey is SEHLXNZXVDAIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-13(8-4-2-3-6-10)16(14,15)9-5-7-11-12-9/h5,7H,2-4,6,8H2,1H3,(H,11,12).
What are the key properties of N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide?
N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide has a molecular weight of 265.77 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107206389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).