N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide

C13H13Br2NO3S2 — CID 23855426

IUPACN-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cc(Br)c(Br)s1)N(CCO)Cc1ccccc1
InChIInChI=1S/C13H13Br2NO3S2/c14-11-8-12(20-13(11)15)21(18,19)16(6-7-17)9-10-4-2-1-3-5-10/h1-5,8,17H,6-7,9H2
InChIKeyQNHPQLOUYUOKSF-UHFFFAOYSA-N
MW455.19 g/mol
LogP3.46
Rot. Bonds6

About N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide

N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 23855426) has the molecular formula C13H13Br2NO3S2 and a molecular weight of 455.19 g/mol. Its IUPAC name is N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID23855426
Molecular FormulaC13H13Br2NO3S2
Molecular Weight455.19 g/mol
Exact Mass452.87
IUPAC NameN-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cc(Br)c(Br)s1)N(CCO)Cc1ccccc1
InChIInChI=1S/C13H13Br2NO3S2/c14-11-8-12(20-13(11)15)21(18,19)16(6-7-17)9-10-4-2-1-3-5-10/h1-5,8,17H,6-7,9H2
InChIKeyQNHPQLOUYUOKSF-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

Analyze N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 62114424
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
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
3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 113265345
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 80577825
N-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-sulfonamide
CID 68743674

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide (CID 23855426) is N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide is O=S(=O)(c1cc(Br)c(Br)s1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is QNHPQLOUYUOKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO3S2/c14-11-8-12(20-13(11)15)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-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
N-benzyl-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-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-4,5-dibromo-N-(2-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 23855426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).