5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide

C10H14BrNO4S — CID 15590963

IUPAC5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C10H14BrNO4S/c1-12(5-6-13)17(14,15)10-7-8(11)3-4-9(10)16-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyPIMGXNHURBWUBL-UHFFFAOYSA-N
MW324.20 g/mol
LogP1.07
Rot. Bonds5

About 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide

5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 15590963) has the molecular formula C10H14BrNO4S and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID15590963
Molecular FormulaC10H14BrNO4S
Molecular Weight324.20 g/mol
Exact Mass322.98
IUPAC Name5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C10H14BrNO4S/c1-12(5-6-13)17(14,15)10-7-8(11)3-4-9(10)16-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyPIMGXNHURBWUBL-UHFFFAOYSA-N
XLogP1.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-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

5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 15590967
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 116527699
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
CID 3751126
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 55352516
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62818536

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide (CID 15590963) is 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)N(C)CCO.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is PIMGXNHURBWUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S/c1-12(5-6-13)17(14,15)10-7-8(11)3-4-9(10)16-2/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide?
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 324.20 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 15590963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).