3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide

C10H10BrN3O2S2 — CID 55248530

IUPAC3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2nccs2)c(Br)c1
InChIInChI=1S/C10H10BrN3O2S2/c11-8-5-7(18(12,15)16)1-2-9(8)14-6-10-13-3-4-17-10/h1-5,14H,6H2,(H2,12,15,16)
InChIKeyKILQXWPXEUMLQG-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.17
Rot. Bonds4

About 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide

3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide (PubChem CID 55248530) has the molecular formula C10H10BrN3O2S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide
PubChem CID55248530
Molecular FormulaC10H10BrN3O2S2
Molecular Weight348.25 g/mol
Exact Mass346.94
IUPAC Name3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2nccs2)c(Br)c1
InChIInChI=1S/C10H10BrN3O2S2/c11-8-5-7(18(12,15)16)1-2-9(8)14-6-10-13-3-4-17-10/h1-5,14H,6H2,(H2,12,15,16)
InChIKeyKILQXWPXEUMLQG-UHFFFAOYSA-N
XLogP2.17
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747707
2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656219
3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide
CID 79783627
3-bromo-4-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43745616
3-bromo-4-[(4-cyanothiophen-2-yl)methylamino]benzenesulfonamide
CID 79614192
5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657020
3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61285408
4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71368723
3-bromo-4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide
CID 115951514
3-bromo-4-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951515
3-bromo-4-[1-(3-bromothiophen-2-yl)ethylamino]benzenesulfonamide
CID 43790989
3-amino-4-(1,3-thiazol-2-ylmethylamino)benzamide
CID 61284227

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide (CID 55248530) is 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2nccs2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide?
The InChIKey is KILQXWPXEUMLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S2/c11-8-5-7(18(12,15)16)1-2-9(8)14-6-10-13-3-4-17-10/h1-5,14H,6H2,(H2,12,15,16).
What are the key properties of 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide?
3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide has a molecular weight of 348.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 55248530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).