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

C13H16ClN3O2S2 — CID 106034093

IUPAC3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cc(Cl)cc(N)c2C)cs1
InChIInChI=1S/C13H16ClN3O2S2/c1-8-12(15)5-10(14)6-13(8)21(18,19)16-4-3-11-7-20-9(2)17-11/h5-7,16H,3-4,15H2,1-2H3
InChIKeyYRSIHYYZRUFIML-UHFFFAOYSA-N
MW345.88 g/mol
LogP2.52
Rot. Bonds5

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

3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 106034093) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID106034093
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2cc(Cl)cc(N)c2C)cs1
InChIInChI=1S/C13H16ClN3O2S2/c1-8-12(15)5-10(14)6-13(8)21(18,19)16-4-3-11-7-20-9(2)17-11/h5-7,16H,3-4,15H2,1-2H3
InChIKeyYRSIHYYZRUFIML-UHFFFAOYSA-N
XLogP2.52
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.52
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-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088
3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106049676
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106049680
5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 110301352
2-bromo-5-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]furan-3-sulfonamide
CID 106044022
3-amino-2-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239008
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide
CID 106333439
3-amino-5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 114380309

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 106034093) is 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Cc1nc(CCNS(=O)(=O)c2cc(Cl)cc(N)c2C)cs1.
What is the InChIKey of 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is YRSIHYYZRUFIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-8-12(15)5-10(14)6-13(8)21(18,19)16-4-3-11-7-20-9(2)17-11/h5-7,16H,3-4,15H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 345.88 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106034093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).