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

C10H10BrN3O2S2 — CID 115328636

IUPAC3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(Br)c(N)c2)n1
InChIInChI=1S/C10H10BrN3O2S2/c1-6-5-17-10(13-6)14-18(15,16)7-2-3-8(11)9(12)4-7/h2-5H,12H2,1H3,(H,13,14)
InChIKeyXGIGHVNFHGYPNB-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.60
Rot. Bonds3

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

3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 115328636) has the molecular formula C10H10BrN3O2S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID115328636
Molecular FormulaC10H10BrN3O2S2
Molecular Weight348.25 g/mol
Exact Mass346.94
IUPAC Name3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(Br)c(N)c2)n1
InChIInChI=1S/C10H10BrN3O2S2/c1-6-5-17-10(13-6)14-18(15,16)7-2-3-8(11)9(12)4-7/h2-5H,12H2,1H3,(H,13,14)
InChIKeyXGIGHVNFHGYPNB-UHFFFAOYSA-N
XLogP2.60
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.60
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

N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
2-amino-4,6-dibromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257975
5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 81413594
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
3-amino-5-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114378659
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide
CID 3820035
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 63288690
2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25047855
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 115328636) is 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc(Br)c(N)c2)n1.
What is the InChIKey of 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XGIGHVNFHGYPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S2/c1-6-5-17-10(13-6)14-18(15,16)7-2-3-8(11)9(12)4-7/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 348.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 115328636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).