3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide

C7H14ClNO2S — CID 114619084

IUPAC3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide
SMILESC=C(C)CNS(=O)(=O)CCCCl
InChIInChI=1S/C7H14ClNO2S/c1-7(2)6-9-12(10,11)5-3-4-8/h9H,1,3-6H2,2H3
InChIKeyIOUAKFBQBAZFRR-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.11
Rot. Bonds6

About 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide

3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide (PubChem CID 114619084) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide
PubChem CID114619084
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide
SMILESC=C(C)CNS(=O)(=O)CCCCl
InChIInChI=1S/C7H14ClNO2S/c1-7(2)6-9-12(10,11)5-3-4-8/h9H,1,3-6H2,2H3
InChIKeyIOUAKFBQBAZFRR-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217
3-chloro-N-[2-(dimethylamino)-2-methylpropyl]propane-1-sulfonamide
CID 61249127
3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 43653973
2-(2-chloroethylsulfonylamino)-N-methylacetamide
CID 107650514
3-chloro-N',N'-dimethylpropane-1-sulfonohydrazide
CID 83023813
3-chloro-N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66171876
2-(2-aminophenyl)sulfanyl-N-(2-methylprop-2-enyl)ethanesulfonamide
CID 114615068
4-chloro-N-(3-methylsulfinylpropyl)butane-1-sulfonamide
CID 116816553
4-chloro-N-(2-ethyl-2-hydroxybutyl)butane-1-sulfonamide
CID 116816263
3-chloro-N-[2-(dimethylamino)-3-methylbutyl]propane-1-sulfonamide
CID 61250449
N-(6-chlorohexyl)-2-methylsulfonylethanesulfonamide
CID 107849083

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide (CID 114619084) is 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide is C=C(C)CNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide?
The InChIKey is IOUAKFBQBAZFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-7(2)6-9-12(10,11)5-3-4-8/h9H,1,3-6H2,2H3.
What are the key properties of 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide?
3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide has a molecular weight of 211.71 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide is sourced from PubChem (CID 114619084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).