N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide

C11H18ClN3O2S — CID 104710572

IUPACN-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1(CCl)CCCCC1
InChIInChI=1S/C11H18ClN3O2S/c1-15-10(5-8-13-15)18(16,17)14-11(9-12)6-3-2-4-7-11/h5,8,14H,2-4,6-7,9H2,1H3
InChIKeyVINPAYSBFZKSHF-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.64
Rot. Bonds4

About N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide

N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104710572) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104710572
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NC1(CCl)CCCCC1
InChIInChI=1S/C11H18ClN3O2S/c1-15-10(5-8-13-15)18(16,17)14-11(9-12)6-3-2-4-7-11/h5,8,14H,2-4,6-7,9H2,1H3
InChIKeyVINPAYSBFZKSHF-UHFFFAOYSA-N
XLogP1.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 113444051
N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 65030778
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104709256
N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-carboxamide
CID 114303346
N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 65031136
2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 65032608
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 104710131
N-cyclopentyl-2-methylpyrazole-3-sulfonamide
CID 104709770
N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
5-bromo-N-[1-(chloromethyl)cyclobutyl]-3-methyltriazole-4-sulfonamide
CID 106468498
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710326

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide (CID 104710572) is N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NC1(CCl)CCCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is VINPAYSBFZKSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-15-10(5-8-13-15)18(16,17)14-11(9-12)6-3-2-4-7-11/h5,8,14H,2-4,6-7,9H2,1H3.
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide?
N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).