N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide

C10H16ClN3O2S — CID 65030778

IUPACN-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2(CCl)CCCC2)cn1
InChIInChI=1S/C10H16ClN3O2S/c1-14-7-9(6-12-14)17(15,16)13-10(8-11)4-2-3-5-10/h6-7,13H,2-5,8H2,1H3
InChIKeyWFNCTDMVFUKIBJ-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.25
Rot. Bonds4

About N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide

N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 65030778) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
PubChem CID65030778
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2(CCl)CCCC2)cn1
InChIInChI=1S/C10H16ClN3O2S/c1-14-7-9(6-12-14)17(15,16)13-10(8-11)4-2-3-5-10/h6-7,13H,2-5,8H2,1H3
InChIKeyWFNCTDMVFUKIBJ-UHFFFAOYSA-N
XLogP1.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.25
H-Bond Donors ≤ 51
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-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide (CID 65030778) is N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2(CCl)CCCC2)cn1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is WFNCTDMVFUKIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-14-7-9(6-12-14)17(15,16)13-10(8-11)4-2-3-5-10/h6-7,13H,2-5,8H2,1H3.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide?
N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 277.78 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 65030778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).