2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C12H12Br2N2O2S2 — CID 61067597

IUPAC2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncc(CN(C)S(=O)(=O)c2cc(Br)ccc2Br)s1
InChIInChI=1S/C12H12Br2N2O2S2/c1-8-15-6-10(19-8)7-16(2)20(17,18)12-5-9(13)3-4-11(12)14/h3-6H,7H2,1-2H3
InChIKeyVYNFTKUIIRPRDF-UHFFFAOYSA-N
MW440.18 g/mol
LogP3.80
Rot. Bonds4

About 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 61067597) has the molecular formula C12H12Br2N2O2S2 and a molecular weight of 440.18 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID61067597
Molecular FormulaC12H12Br2N2O2S2
Molecular Weight440.18 g/mol
Exact Mass437.87
IUPAC Name2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncc(CN(C)S(=O)(=O)c2cc(Br)ccc2Br)s1
InChIInChI=1S/C12H12Br2N2O2S2/c1-8-15-6-10(19-8)7-16(2)20(17,18)12-5-9(13)3-4-11(12)14/h3-6H,7H2,1-2H3
InChIKeyVYNFTKUIIRPRDF-UHFFFAOYSA-N
XLogP3.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64511312
2-amino-4-methoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61113951
4-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 65481998
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 61060458
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 65309172
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
5-amino-2-chloro-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61114334
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid
CID 60951190
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 30173853
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 61067597) is 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1ncc(CN(C)S(=O)(=O)c2cc(Br)ccc2Br)s1.
What is the InChIKey of 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is VYNFTKUIIRPRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2S2/c1-8-15-6-10(19-8)7-16(2)20(17,18)12-5-9(13)3-4-11(12)14/h3-6H,7H2,1-2H3.
What are the key properties of 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 440.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61067597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).