N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide

C10H18ClN3O2S — CID 107849199

IUPACN-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCCCCCl)cn1
InChIInChI=1S/C10H18ClN3O2S/c1-14-9-10(8-12-14)17(15,16)13-7-5-3-2-4-6-11/h8-9,13H,2-7H2,1H3
InChIKeyPDDIAEFTULJYRA-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.50
Rot. Bonds8

About N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide

N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 107849199) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
PubChem CID107849199
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC NameN-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCCCCCCl)cn1
InChIInChI=1S/C10H18ClN3O2S/c1-14-9-10(8-12-14)17(15,16)13-7-5-3-2-4-6-11/h8-9,13H,2-7H2,1H3
InChIKeyPDDIAEFTULJYRA-UHFFFAOYSA-N
XLogP1.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.50
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-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
2-[(1-methylpyrazol-4-yl)sulfonylamino]ethanesulfonyl chloride
CID 81358188
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
CID 77036940
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115456681
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide (CID 107849199) is N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCCCCCCl)cn1.
What is the InChIKey of N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is PDDIAEFTULJYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-14-9-10(8-12-14)17(15,16)13-7-5-3-2-4-6-11/h8-9,13H,2-7H2,1H3.
What are the key properties of N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide?
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 107849199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).