1-chloro-N-pent-4-ynylmethanesulfonamide

C6H10ClNO2S — CID 106223218

IUPAC1-chloro-N-pent-4-ynylmethanesulfonamide
SMILESC#CCCCNS(=O)(=O)CCl
InChIInChI=1S/C6H10ClNO2S/c1-2-3-4-5-8-11(9,10)6-7/h1,8H,3-6H2
InChIKeyXGXIEOYEYFYLBU-UHFFFAOYSA-N
MW195.67 g/mol
LogP0.52
Rot. Bonds5

About 1-chloro-N-pent-4-ynylmethanesulfonamide

1-chloro-N-pent-4-ynylmethanesulfonamide (PubChem CID 106223218) has the molecular formula C6H10ClNO2S and a molecular weight of 195.67 g/mol. Its IUPAC name is 1-chloro-N-pent-4-ynylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-pent-4-ynylmethanesulfonamide
PubChem CID106223218
Molecular FormulaC6H10ClNO2S
Molecular Weight195.67 g/mol
Exact Mass195.01
IUPAC Name1-chloro-N-pent-4-ynylmethanesulfonamide
SMILESC#CCCCNS(=O)(=O)CCl
InChIInChI=1S/C6H10ClNO2S/c1-2-3-4-5-8-11(9,10)6-7/h1,8H,3-6H2
InChIKeyXGXIEOYEYFYLBU-UHFFFAOYSA-N
XLogP0.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
CID 103698152
N-(methylsulfamoyl)pent-4-yn-1-amine
CID 106223287
1-chloro-N-(4-hydroxybutyl)methanesulfonamide
CID 106844119
N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
CID 106210034
N-(tert-butylsulfamoyl)pent-4-yn-1-amine
CID 106223279
4-(chloromethylsulfonylamino)butanoic acid
CID 63664973
N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
CID 106223265
2-bromo-N-pent-4-ynylbenzenesulfonamide
CID 103698102
N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
CID 106222713
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
methyl 4-(chloromethylsulfonylamino)butanoate
CID 63664972

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-pent-4-ynylmethanesulfonamide?
The IUPAC name of 1-chloro-N-pent-4-ynylmethanesulfonamide (CID 106223218) is 1-chloro-N-pent-4-ynylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-pent-4-ynylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-pent-4-ynylmethanesulfonamide is C#CCCCNS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-pent-4-ynylmethanesulfonamide?
The InChIKey is XGXIEOYEYFYLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2S/c1-2-3-4-5-8-11(9,10)6-7/h1,8H,3-6H2.
What are the key properties of 1-chloro-N-pent-4-ynylmethanesulfonamide?
1-chloro-N-pent-4-ynylmethanesulfonamide has a molecular weight of 195.67 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-pent-4-ynylmethanesulfonamide is sourced from PubChem (CID 106223218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).