2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide

C11H11Cl2NO2S — CID 78970204

IUPAC2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO2S/c1-3-7-14(4-2)17(15,16)11-8-9(12)5-6-10(11)13/h1,5-6,8H,4,7H2,2H3
InChIKeyCFUJDENOMOWNDZ-UHFFFAOYSA-N
MW292.19 g/mol
LogP2.64
Rot. Bonds4

About 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide

2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide (PubChem CID 78970204) has the molecular formula C11H11Cl2NO2S and a molecular weight of 292.19 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide
PubChem CID78970204
Molecular FormulaC11H11Cl2NO2S
Molecular Weight292.19 g/mol
Exact Mass290.99
IUPAC Name2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO2S/c1-3-7-14(4-2)17(15,16)11-8-9(12)5-6-10(11)13/h1,5-6,8H,4,7H2,2H3
InChIKeyCFUJDENOMOWNDZ-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-ethyl-2-fluoro-N-prop-2-ynylbenzenesulfonamide
CID 103051884
2,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387966
2,4-dichloro-5-[ethyl(prop-2-ynyl)sulfamoyl]benzoic acid
CID 78970275
3-amino-4-bromo-5-chloro-N-ethyl-2-fluoro-N-prop-2-ynylbenzenesulfonamide
CID 103077609
5-chloro-3-[ethyl(prop-2-ynyl)sulfamoyl]-2-methylbenzoic acid
CID 82891296
3-amino-N-ethyl-2,4-difluoro-N-prop-2-ynylbenzenesulfonamide
CID 107343747
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
3-chloro-4-cyano-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 112686413
2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide (CID 78970204) is 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide is C#CCN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is CFUJDENOMOWNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2S/c1-3-7-14(4-2)17(15,16)11-8-9(12)5-6-10(11)13/h1,5-6,8H,4,7H2,2H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide?
2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 292.19 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 78970204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).