3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide

C20H20ClN5O4S — CID 167844669

IUPAC3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C2NNNN2)cc(Cl)c1O
InChIInChI=1S/C20H20ClN5O4S/c1-30-17-8-7-13(12-5-3-2-4-6-12)10-16(17)24-31(28,29)18-11-14(9-15(21)19(18)27)20-22-25-26-23-20/h2-11,20,22-27H,1H3
InChIKeyJVJBSSNZTAQYIY-UHFFFAOYSA-N
MW461.93 g/mol
LogP2.64
Rot. Bonds6

About 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide

3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 167844669) has the molecular formula C20H20ClN5O4S and a molecular weight of 461.93 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID167844669
Molecular FormulaC20H20ClN5O4S
Molecular Weight461.93 g/mol
Exact Mass461.09
IUPAC Name3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C2NNNN2)cc(Cl)c1O
InChIInChI=1S/C20H20ClN5O4S/c1-30-17-8-7-13(12-5-3-2-4-6-12)10-16(17)24-31(28,29)18-11-14(9-15(21)19(18)27)20-22-25-26-23-20/h2-11,20,22-27H,1H3
InChIKeyJVJBSSNZTAQYIY-UHFFFAOYSA-N
XLogP2.64
TPSA123.75 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.93
LogP ≤ 52.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 146545910
tert-butyl 4-[3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 146601037
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 25036035
5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
CID 58565637
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide (CID 167844669) is 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C2NNNN2)cc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is JVJBSSNZTAQYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O4S/c1-30-17-8-7-13(12-5-3-2-4-6-12)10-16(17)24-31(28,29)18-11-14(9-15(21)19(18)27)20-22-25-26-23-20/h2-11,20,22-27H,1H3.
What are the key properties of 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide?
3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 461.93 g/mol, XLogP of 2.64, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 167844669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).