N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide

C9H16ClN3O2S — CID 106135422

IUPACN-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H16ClN3O2S/c1-8(10)4-3-6-12-16(14,15)9-5-7-11-13(9)2/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyKOPRDOKCSXSZHI-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.11
Rot. Bonds6

About N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide

N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 106135422) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide
PubChem CID106135422
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC NameN-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H16ClN3O2S/c1-8(10)4-3-6-12-16(14,15)9-5-7-11-13(9)2/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyKOPRDOKCSXSZHI-UHFFFAOYSA-N
XLogP1.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 132295301
N-[4-(2-chloro-2-fluorocyclopropyl)butyl]-1-methylpyrazole-3-sulfonamide
CID 178258220
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 107492805
N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 107493004
N-methyl-N-(3-piperidinylmethyl)-1-propyl-1H-pyrazole-5-sulfonamide hydrochloride
CID 122565569
1-ethyl-1H-pyrazole-5-sulfonamide
CID 63974720
N,1-Dimethyl-1H-pyrazole-3-sulfonamide
CID 89970042
1-(2-Methylpyrazol-3-yl)sulfonylpiperidine
CID 104709774
N,1-dimethyl-1H-pyrazole-5-sulfonamide
CID 112692806
N-butyl-2-(methoxymethyl)pyrazole-3-sulfonamide
CID 156186365
N-butyl-1-methylpyrazole-3-sulfonamide
CID 156186389
2-(methoxymethyl)-N-(3-methylbutyl)pyrazole-3-sulfonamide
CID 162751092

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide (CID 106135422) is N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide is CC(Cl)CCCNS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is KOPRDOKCSXSZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-8(10)4-3-6-12-16(14,15)9-5-7-11-13(9)2/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide?
N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 265.77 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 106135422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).