2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide

C11H11Cl2NO3S — CID 60823183

IUPAC2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c1-2-14-18(16,17)11-9(12)6-8(4-3-5-15)7-10(11)13/h6-7,14-15H,2,5H2,1H3
InChIKeyNTHRIMBOGDOJHN-UHFFFAOYSA-N
MW308.19 g/mol
LogP1.64
Rot. Bonds3

About 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide

2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide (PubChem CID 60823183) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
PubChem CID60823183
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC Name2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c1-2-14-18(16,17)11-9(12)6-8(4-3-5-15)7-10(11)13/h6-7,14-15H,2,5H2,1H3
InChIKeyNTHRIMBOGDOJHN-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926298
2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823008
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
3-(3,5-dichloro-4-pyrrolidin-1-ylsulfonylphenyl)prop-2-yn-1-ol
CID 60824255
2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 60845655
4-(3-aminoprop-1-ynyl)-2,6-dichloro-N-(3-methylbutyl)benzenesulfonamide
CID 60845685
2-chloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)benzenesulfonamide
CID 54926247
2-[[2,6-dichloro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonyl-methylamino]acetamide
CID 60824762
4-(3-aminoprop-1-ynyl)-2,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide
CID 60844319
2-chloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60925262
2-chloro-N,N-diethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823479
3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811666

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide (CID 60823183) is 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide is CCNS(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
The InChIKey is NTHRIMBOGDOJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c1-2-14-18(16,17)11-9(12)6-8(4-3-5-15)7-10(11)13/h6-7,14-15H,2,5H2,1H3.
What are the key properties of 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide?
2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide has a molecular weight of 308.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 60823183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).