3-chloropentane-1-sulfonamide

C5H12ClNO2S — CID 13468215

IUPAC3-chloropentane-1-sulfonamide
SMILESCCC(Cl)CCS(N)(=O)=O
InChIInChI=1S/C5H12ClNO2S/c1-2-5(6)3-4-10(7,8)9/h5H,2-4H2,1H3,(H2,7,8,9)
InChIKeyMOQRODUYFKHKGV-UHFFFAOYSA-N
MW185.68 g/mol
LogP0.68
Rot. Bonds4

About 3-chloropentane-1-sulfonamide

3-chloropentane-1-sulfonamide (PubChem CID 13468215) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 3-chloropentane-1-sulfonamide.

Molecular Properties

Compound Name3-chloropentane-1-sulfonamide
PubChem CID13468215
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name3-chloropentane-1-sulfonamide
SMILESCCC(Cl)CCS(N)(=O)=O
InChIInChI=1S/C5H12ClNO2S/c1-2-5(6)3-4-10(7,8)9/h5H,2-4H2,1H3,(H2,7,8,9)
InChIKeyMOQRODUYFKHKGV-UHFFFAOYSA-N
XLogP0.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-chloropentane-1-sulfonamide?
The IUPAC name of 3-chloropentane-1-sulfonamide (CID 13468215) is 3-chloropentane-1-sulfonamide.
What is the SMILES notation for 3-chloropentane-1-sulfonamide?
The canonical SMILES for 3-chloropentane-1-sulfonamide is CCC(Cl)CCS(N)(=O)=O.
What is the InChIKey of 3-chloropentane-1-sulfonamide?
The InChIKey is MOQRODUYFKHKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-2-5(6)3-4-10(7,8)9/h5H,2-4H2,1H3,(H2,7,8,9).
What are the key properties of 3-chloropentane-1-sulfonamide?
3-chloropentane-1-sulfonamide has a molecular weight of 185.68 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropentane-1-sulfonamide is sourced from PubChem (CID 13468215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).