3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C11H10Cl2N2O2S2 — CID 110717587

IUPAC3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cncs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2S2/c12-10-2-1-9(5-11(10)13)19(16,17)15-4-3-8-6-14-7-18-8/h1-2,5-7,15H,3-4H2
InChIKeyNHNGYYFJRFOYMJ-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.97
Rot. Bonds5

About 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide

3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110717587) has the molecular formula C11H10Cl2N2O2S2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110717587
Molecular FormulaC11H10Cl2N2O2S2
Molecular Weight337.25 g/mol
Exact Mass335.96
IUPAC Name3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cncs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O2S2/c12-10-2-1-9(5-11(10)13)19(16,17)15-4-3-8-6-14-7-18-8/h1-2,5-7,15H,3-4H2
InChIKeyNHNGYYFJRFOYMJ-UHFFFAOYSA-N
XLogP2.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717603
4-chloro-3-[2-(1,3-thiazol-5-yl)ethylsulfamoyl]benzoic acid
CID 110717619
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395152
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717621
3,4-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 43008790
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dichlorobenzenesulfonamide
CID 3807874
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide
CID 110294380

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 110717587) is 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cncs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is NHNGYYFJRFOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S2/c12-10-2-1-9(5-11(10)13)19(16,17)15-4-3-8-6-14-7-18-8/h1-2,5-7,15H,3-4H2.
What are the key properties of 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 337.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110717587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).