3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C11H13N3O2S2 — CID 43256868

IUPAC3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nccs2)cc1N
InChIInChI=1S/C11H13N3O2S2/c1-2-8-3-4-9(7-10(8)12)18(15,16)14-11-13-5-6-17-11/h3-7H,2,12H2,1H3,(H,13,14)
InChIKeyXPNRBUCQTVEJSM-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.09
Rot. Bonds4

About 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 43256868) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID43256868
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nccs2)cc1N
InChIInChI=1S/C11H13N3O2S2/c1-2-8-3-4-9(7-10(8)12)18(15,16)14-11-13-5-6-17-11/h3-7H,2,12H2,1H3,(H,13,14)
InChIKeyXPNRBUCQTVEJSM-UHFFFAOYSA-N
XLogP2.09
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 29041502
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
3-(ethylamino)-4-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 82845963
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43506679

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 43256868) is 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2nccs2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XPNRBUCQTVEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-2-8-3-4-9(7-10(8)12)18(15,16)14-11-13-5-6-17-11/h3-7H,2,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 43256868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).