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

C10H9Cl2NO3S — CID 54926298

IUPAC2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl
InChIInChI=1S/C10H9Cl2NO3S/c1-13-17(15,16)10-8(11)5-7(3-2-4-14)6-9(10)12/h5-6,13-14H,4H2,1H3
InChIKeyWLOTXWJXORYMKW-UHFFFAOYSA-N
MW294.16 g/mol
LogP1.25
Rot. Bonds2

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

2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide (PubChem CID 54926298) has the molecular formula C10H9Cl2NO3S and a molecular weight of 294.16 g/mol. Its IUPAC name is 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
PubChem CID54926298
Molecular FormulaC10H9Cl2NO3S
Molecular Weight294.16 g/mol
Exact Mass292.97
IUPAC Name2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl
InChIInChI=1S/C10H9Cl2NO3S/c1-13-17(15,16)10-8(11)5-7(3-2-4-14)6-9(10)12/h5-6,13-14H,4H2,1H3
InChIKeyWLOTXWJXORYMKW-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.25
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-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823183
2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823008
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
2-[[2,6-dichloro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonyl-methylamino]acetamide
CID 60824762
2-chloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)benzenesulfonamide
CID 54926247
2-chloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60925262
2-chloro-4-(3-hydroxyprop-1-ynyl)-N,N-dimethylbenzenesulfonamide
CID 54926203
4-(3-aminoprop-1-ynyl)-2,6-dichloro-N-(3-methylbutyl)benzenesulfonamide
CID 60845685
4-(3-aminoprop-1-ynyl)-2,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide
CID 60844319
methyl 2-[[2-chloro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]propanoate
CID 61497994
2-chloro-N,N-diethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823479

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide (CID 54926298) is 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1c(Cl)cc(C#CCO)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The InChIKey is WLOTXWJXORYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3S/c1-13-17(15,16)10-8(11)5-7(3-2-4-14)6-9(10)12/h5-6,13-14H,4H2,1H3.
What are the key properties of 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide has a molecular weight of 294.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54926298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).