5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C12H14ClN3O2S2 — CID 61471894

IUPAC5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(N)ccc2Cl)sc1C
InChIInChI=1S/C12H14ClN3O2S2/c1-3-10-7(2)19-12(15-10)16-20(17,18)11-6-8(14)4-5-9(11)13/h4-6H,3,14H2,1-2H3,(H,15,16)
InChIKeyUUTGZXQPBAHFAI-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.05
Rot. Bonds4

About 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61471894) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61471894
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC Name5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(N)ccc2Cl)sc1C
InChIInChI=1S/C12H14ClN3O2S2/c1-3-10-7(2)19-12(15-10)16-20(17,18)11-6-8(14)4-5-9(11)13/h4-6H,3,14H2,1-2H3,(H,15,16)
InChIKeyUUTGZXQPBAHFAI-UHFFFAOYSA-N
XLogP3.05
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.05
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

5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
CID 61472007
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 61472090
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106019045
2-amino-5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 106491632
5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106019046
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61471934
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 61477562
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61471894) is 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CCc1nc(NS(=O)(=O)c2cc(N)ccc2Cl)sc1C.
What is the InChIKey of 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is UUTGZXQPBAHFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-3-10-7(2)19-12(15-10)16-20(17,18)11-6-8(14)4-5-9(11)13/h4-6H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 331.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61471894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).