2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C10H8Br2N2O3S2 — CID 113341895

IUPAC2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)c2ccc(Br)cc2Br)cs1
InChIInChI=1S/C10H8Br2N2O3S2/c11-6-1-2-9(8(12)3-6)19(16,17)13-4-7-5-18-10(15)14-7/h1-3,5,13H,4H2,(H,14,15)
InChIKeyJCQUTAWXNPXYOS-UHFFFAOYSA-N
MW428.13 g/mol
LogP2.44
Rot. Bonds4

About 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 113341895) has the molecular formula C10H8Br2N2O3S2 and a molecular weight of 428.13 g/mol. Its IUPAC name is 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID113341895
Molecular FormulaC10H8Br2N2O3S2
Molecular Weight428.13 g/mol
Exact Mass425.83
IUPAC Name2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)c2ccc(Br)cc2Br)cs1
InChIInChI=1S/C10H8Br2N2O3S2/c11-6-1-2-9(8(12)3-6)19(16,17)13-4-7-5-18-10(15)14-7/h1-3,5,13H,4H2,(H,14,15)
InChIKeyJCQUTAWXNPXYOS-UHFFFAOYSA-N
XLogP2.44
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.13
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383993
2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 47319560
5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106383980
3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 103774906
2,4-dibromo-N-[(3-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 78983691
5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106379599
4-[[1-(2,4-dibromophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379927
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103
2-chloro-5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 104919318
5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383991
2-chloro-5-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383869
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 113341895) is 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is O=c1[nH]c(CNS(=O)(=O)c2ccc(Br)cc2Br)cs1.
What is the InChIKey of 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is JCQUTAWXNPXYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O3S2/c11-6-1-2-9(8(12)3-6)19(16,17)13-4-7-5-18-10(15)14-7/h1-3,5,13H,4H2,(H,14,15).
What are the key properties of 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 428.13 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 113341895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).