3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide

C15H15BrClNO4S — CID 60534190

IUPAC3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(O)c1C
InChIInChI=1S/C15H15BrClNO4S/c1-8-4-5-12(9(2)14(8)19)18-23(20,21)13-7-10(17)6-11(16)15(13)22-3/h4-7,18-19H,1-3H3
InChIKeyWWQGLMOKTTULPY-UHFFFAOYSA-N
MW420.71 g/mol
LogP4.23
Rot. Bonds4

About 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide

3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 60534190) has the molecular formula C15H15BrClNO4S and a molecular weight of 420.71 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
PubChem CID60534190
Molecular FormulaC15H15BrClNO4S
Molecular Weight420.71 g/mol
Exact Mass418.96
IUPAC Name3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(O)c1C
InChIInChI=1S/C15H15BrClNO4S/c1-8-4-5-12(9(2)14(8)19)18-23(20,21)13-7-10(17)6-11(16)15(13)22-3/h4-7,18-19H,1-3H3
InChIKeyWWQGLMOKTTULPY-UHFFFAOYSA-N
XLogP4.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.71
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
CID 61061862
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 43423225
3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 43502221
3-bromo-5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944139
3-bromo-5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzenesulfonamide
CID 61247098
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
3-bromo-5-chloro-N-[4-(cyanomethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 31777718
3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 55544609
3-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 55995395
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
N-(3,5-dichloro-4-hydroxy-2,6-dimethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide
CID 22095929

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide (CID 60534190) is 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(O)c1C.
What is the InChIKey of 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is WWQGLMOKTTULPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO4S/c1-8-4-5-12(9(2)14(8)19)18-23(20,21)13-7-10(17)6-11(16)15(13)22-3/h4-7,18-19H,1-3H3.
What are the key properties of 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide?
3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 420.71 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 60534190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).