2,6-dichloro-N,N-diethylbenzenesulfonamide

C10H13Cl2NO2S — CID 3331535

IUPAC2,6-dichloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-3-13(4-2)16(14,15)10-8(11)6-5-7-9(10)12/h5-7H,3-4H2,1-2H3
InChIKeyLIKPHHKMGKKXCD-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.02
Rot. Bonds4

About 2,6-dichloro-N,N-diethylbenzenesulfonamide

2,6-dichloro-N,N-diethylbenzenesulfonamide (PubChem CID 3331535) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 2,6-dichloro-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N,N-diethylbenzenesulfonamide
PubChem CID3331535
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name2,6-dichloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-3-13(4-2)16(14,15)10-8(11)6-5-7-9(10)12/h5-7H,3-4H2,1-2H3
InChIKeyLIKPHHKMGKKXCD-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 28536185
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
CID 119982528
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55870758
ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate
CID 58393063
2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
CID 43091528
2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312
2-[(2-amino-6-chlorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62922607
2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 46457714
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,N-diethylbenzenesulfonamide?
The IUPAC name of 2,6-dichloro-N,N-diethylbenzenesulfonamide (CID 3331535) is 2,6-dichloro-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N,N-diethylbenzenesulfonamide?
The InChIKey is LIKPHHKMGKKXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-3-13(4-2)16(14,15)10-8(11)6-5-7-9(10)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,6-dichloro-N,N-diethylbenzenesulfonamide?
2,6-dichloro-N,N-diethylbenzenesulfonamide has a molecular weight of 282.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 3331535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).