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

C13H17N3O2S2 — CID 43506679

IUPAC4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-3-14-10(2)11-4-6-12(7-5-11)20(17,18)16-13-15-8-9-19-13/h4-10,14H,3H2,1-2H3,(H,15,16)
InChIKeyDVAYQGXGLGFTMZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.61
Rot. Bonds6

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

4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 43506679) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID43506679
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-3-14-10(2)11-4-6-12(7-5-11)20(17,18)16-13-15-8-9-19-13/h4-10,14H,3H2,1-2H3,(H,15,16)
InChIKeyDVAYQGXGLGFTMZ-UHFFFAOYSA-N
XLogP2.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 170091244
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
diethyl 2-[(4-chlorophenyl)-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]methyl]propanedioate
CID 166066769

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 43506679) is 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCNC(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is DVAYQGXGLGFTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-14-10(2)11-4-6-12(7-5-11)20(17,18)16-13-15-8-9-19-13/h4-10,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 43506679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).