3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C11H13N3O2S2 — CID 114263537

IUPAC3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCNc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C11H13N3O2S2/c1-2-12-9-4-3-5-10(8-9)18(15,16)14-11-13-6-7-17-11/h3-8,12H,2H2,1H3,(H,13,14)
InChIKeyCZWYOQHNDVXPHG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.38
Rot. Bonds5

About 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 114263537) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID114263537
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCNc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C11H13N3O2S2/c1-2-12-9-4-3-5-10(8-9)18(15,16)14-11-13-6-7-17-11/h3-8,12H,2H2,1H3,(H,13,14)
InChIKeyCZWYOQHNDVXPHG-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954
3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71689341
5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 62150001
4-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
CID 120563834
3-(ethylamino)-4-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 82845963
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120502083
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502082
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75537839
4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120594010
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 119341542

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 114263537) is 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCNc1cccc(S(=O)(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is CZWYOQHNDVXPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-2-12-9-4-3-5-10(8-9)18(15,16)14-11-13-6-7-17-11/h3-8,12H,2H2,1H3,(H,13,14).
What are the key properties of 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 114263537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).