2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide

C14H15Cl2NO2S — CID 2807128

IUPAC2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
SMILESC#CC1(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C14H15Cl2NO2S/c1-2-14(8-4-3-5-9-14)17-20(18,19)13-10-11(15)6-7-12(13)16/h1,6-7,10,17H,3-5,8-9H2
InChIKeyQZWHIFOJRNZWCC-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.61
Rot. Bonds3

About 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide

2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide (PubChem CID 2807128) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
PubChem CID2807128
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
SMILESC#CC1(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C14H15Cl2NO2S/c1-2-14(8-4-3-5-9-14)17-20(18,19)13-10-11(15)6-7-12(13)16/h1,6-7,10,17H,3-5,8-9H2
InChIKeyQZWHIFOJRNZWCC-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2,5-dichlorobenzenesulfonamide
CID 886826
2,5-dichloro-N-cyclohexylbenzenesulfonamide
CID 838585
2,5-dichloro-N-(2-phenylethyl)benzenesulfonamide
CID 770759
2,5-dichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 1220824
2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide
CID 3684378
2,5-dichloro-N-[3-(4-fluorophenyl)propyl]benzenesulfonamide
CID 17617016
2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651376
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-fluorobenzenesulfonamide
CID 105400645
2,5-Dichloro-N-(1,1-dimethyl-2-phenylethyl)benzenesulfonamide
CID 622382
2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
CID 19684142
2,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 64003999
3-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
CID 86624997

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide (CID 2807128) is 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide is C#CC1(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1.
What is the InChIKey of 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide?
The InChIKey is QZWHIFOJRNZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S/c1-2-14(8-4-3-5-9-14)17-20(18,19)13-10-11(15)6-7-12(13)16/h1,6-7,10,17H,3-5,8-9H2.
What are the key properties of 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide?
2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide has a molecular weight of 332.25 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 2807128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).