2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide

C11H16BrNO4S — CID 61217446

IUPAC2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)CCO)c(Br)c1
InChIInChI=1S/C11H16BrNO4S/c1-9-2-3-11(10(12)8-9)18(16,17)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyKOYPZOJEQWRVAK-UHFFFAOYSA-N
MW338.22 g/mol
LogP0.73
Rot. Bonds6

About 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide

2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 61217446) has the molecular formula C11H16BrNO4S and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID61217446
Molecular FormulaC11H16BrNO4S
Molecular Weight338.22 g/mol
Exact Mass337.00
IUPAC Name2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)CCO)c(Br)c1
InChIInChI=1S/C11H16BrNO4S/c1-9-2-3-11(10(12)8-9)18(16,17)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3
InChIKeyKOYPZOJEQWRVAK-UHFFFAOYSA-N
XLogP0.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide 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

2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
2-bromo-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 43574659
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876906
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide
CID 60765176

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 61217446) is 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCO)CCO)c(Br)c1.
What is the InChIKey of 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is KOYPZOJEQWRVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S/c1-9-2-3-11(10(12)8-9)18(16,17)13(4-6-14)5-7-15/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide?
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 338.22 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 61217446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).