N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide

C13H13Br2NO3S2 — CID 62114424

IUPACN-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Br)sc1Br)N(CCO)Cc1ccccc1
InChIInChI=1S/C13H13Br2NO3S2/c14-12-8-11(13(15)20-12)21(18,19)16(6-7-17)9-10-4-2-1-3-5-10/h1-5,8,17H,6-7,9H2
InChIKeyXLZBSEYLIQUAJJ-UHFFFAOYSA-N
MW455.19 g/mol
LogP3.46
Rot. Bonds6

About N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide

N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide (PubChem CID 62114424) has the molecular formula C13H13Br2NO3S2 and a molecular weight of 455.19 g/mol. Its IUPAC name is N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
PubChem CID62114424
Molecular FormulaC13H13Br2NO3S2
Molecular Weight455.19 g/mol
Exact Mass452.87
IUPAC NameN-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Br)sc1Br)N(CCO)Cc1ccccc1
InChIInChI=1S/C13H13Br2NO3S2/c14-12-8-11(13(15)20-12)21(18,19)16(6-7-17)9-10-4-2-1-3-5-10/h1-5,8,17H,6-7,9H2
InChIKeyXLZBSEYLIQUAJJ-UHFFFAOYSA-N
XLogP3.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 23855426
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 43574662
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 113265345
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 62116350
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
CID 80676433
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The IUPAC name of N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide (CID 62114424) is N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide is O=S(=O)(c1cc(Br)sc1Br)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The InChIKey is XLZBSEYLIQUAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO3S2/c14-12-8-11(13(15)20-12)21(18,19)16(6-7-17)9-10-4-2-1-3-5-10/h1-5,8,17H,6-7,9H2.
What are the key properties of N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide has a molecular weight of 455.19 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 62114424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).