N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide

C10H16ClN3O2S — CID 102873644

IUPACN-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCCl)C1CCC1
InChIInChI=1S/C10H16ClN3O2S/c1-13-10(5-7-12-13)17(15,16)14(8-6-11)9-3-2-4-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyKWYJHMHPCOQCHK-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.20
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide

N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide (PubChem CID 102873644) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide
PubChem CID102873644
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCCl)C1CCC1
InChIInChI=1S/C10H16ClN3O2S/c1-13-10(5-7-12-13)17(15,16)14(8-6-11)9-3-2-4-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyKWYJHMHPCOQCHK-UHFFFAOYSA-N
XLogP1.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide (CID 102873644) is N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide?
The InChIKey is KWYJHMHPCOQCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-13-10(5-7-12-13)17(15,16)14(8-6-11)9-3-2-4-9/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide?
N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide has a molecular weight of 277.78 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 102873644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).