N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide

C9H18ClNO2S — CID 65031084

IUPACN-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(CCl)CCCC1
InChIInChI=1S/C9H18ClNO2S/c1-8(2)14(12,13)11-9(7-10)5-3-4-6-9/h8,11H,3-7H2,1-2H3
InChIKeyHWTPRPQDBCZZCM-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.87
Rot. Bonds4

About N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide

N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide (PubChem CID 65031084) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide
PubChem CID65031084
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(CCl)CCCC1
InChIInChI=1S/C9H18ClNO2S/c1-8(2)14(12,13)11-9(7-10)5-3-4-6-9/h8,11H,3-7H2,1-2H3
InChIKeyHWTPRPQDBCZZCM-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 83059586
CID 83059586
CID 22111612
CID 22111612
CID 61368525
CID 61368525
CID 61872259
CID 61872259
CID 63279772
CID 63279772
CID 64110969
CID 64110969
CID 64586512
CID 64586512
CID 64586513
CID 64586513
CID 64586711
CID 64586711
CID 65030626
CID 65030626
CID 65030725
CID 65030725
CID 65030726
CID 65030726

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide (CID 65031084) is N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide?
The InChIKey is HWTPRPQDBCZZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8(2)14(12,13)11-9(7-10)5-3-4-6-9/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide?
N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 65031084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).