5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide

C17H19BrClNO5S2 — CID 11641791

IUPAC5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide
SMILESCC(C)(C)c1cc(Br)cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c1O
InChIInChI=1S/C17H19BrClNO5S2/c1-17(2,3)12-7-10(18)8-15(16(12)21)27(24,25)20-14-6-5-11(9-13(14)19)26(4,22)23/h5-9,20-21H,1-4H3
InChIKeyGCGGAHAVEQEBLS-UHFFFAOYSA-N
MW496.83 g/mol
LogP4.31
Rot. Bonds4

About 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide

5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 11641791) has the molecular formula C17H19BrClNO5S2 and a molecular weight of 496.83 g/mol. Its IUPAC name is 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID11641791
Molecular FormulaC17H19BrClNO5S2
Molecular Weight496.83 g/mol
Exact Mass494.96
IUPAC Name5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide
SMILESCC(C)(C)c1cc(Br)cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c1O
InChIInChI=1S/C17H19BrClNO5S2/c1-17(2,3)12-7-10(18)8-15(16(12)21)27(24,25)20-14-6-5-11(9-13(14)19)26(4,22)23/h5-9,20-21H,1-4H3
InChIKeyGCGGAHAVEQEBLS-UHFFFAOYSA-N
XLogP4.31
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.83
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide 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

3-tert-butyl-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-phenylbenzenesulfonamide
CID 11712321
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
5-bromo-3-chloro-2-hydroxy-N-(2-iodophenyl)benzenesulfonamide
CID 146619015
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 11962318
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
5-bromo-3-chloro-2-hydroxy-N-[3-methylsulfonyl-5-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 155598101
5-bromo-2-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 155598050
3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51126123
N-(4-bromo-2-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 62145351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide (CID 11641791) is 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide is CC(C)(C)c1cc(Br)cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c1O.
What is the InChIKey of 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is GCGGAHAVEQEBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO5S2/c1-17(2,3)12-7-10(18)8-15(16(12)21)27(24,25)20-14-6-5-11(9-13(14)19)26(4,22)23/h5-9,20-21H,1-4H3.
What are the key properties of 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide?
5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 496.83 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-tert-butyl-N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 11641791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).