3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide

C22H21ClN2O5S — CID 146545910

IUPAC3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)N(C)C)cc(Cl)c1O
InChIInChI=1S/C22H21ClN2O5S/c1-25(2)22(27)16-11-17(23)21(26)20(13-16)31(28,29)24-18-12-15(9-10-19(18)30-3)14-7-5-4-6-8-14/h4-13,24,26H,1-3H3
InChIKeyRTEZTLXYWURKCG-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.22
Rot. Bonds6

About 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide

3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 146545910) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
PubChem CID146545910
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC Name3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)N(C)C)cc(Cl)c1O
InChIInChI=1S/C22H21ClN2O5S/c1-25(2)22(27)16-11-17(23)21(26)20(13-16)31(28,29)24-18-12-15(9-10-19(18)30-3)14-7-5-4-6-8-14/h4-13,24,26H,1-3H3
InChIKeyRTEZTLXYWURKCG-UHFFFAOYSA-N
XLogP4.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 146601037
3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide
CID 167844669
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
CID 146545712
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 25036035
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699
4-chloro-3-[(2-methoxy-5-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 100820520
3-[4-methoxy-3-[[3-(methylamino)phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 135173375
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide (CID 146545910) is 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)N(C)C)cc(Cl)c1O.
What is the InChIKey of 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is RTEZTLXYWURKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-25(2)22(27)16-11-17(23)21(26)20(13-16)31(28,29)24-18-12-15(9-10-19(18)30-3)14-7-5-4-6-8-14/h4-13,24,26H,1-3H3.
What are the key properties of 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide?
3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 460.94 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 146545910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).