N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide

C24H22N4O5S — CID 46683088

IUPACN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3nccc3C)cc2)c1
InChIInChI=1S/C24H22N4O5S/c1-16-13-14-25-28(16)18-9-7-17(8-10-18)24(30)26-21-15-19(11-12-22(21)29)34(31,32)27-20-5-3-4-6-23(20)33-2/h3-15,27,29H,1-2H3,(H,26,30)
InChIKeyLZLVBSKFFLTPLS-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.95
Rot. Bonds7

About N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 46683088) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID46683088
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3nccc3C)cc2)c1
InChIInChI=1S/C24H22N4O5S/c1-16-13-14-25-28(16)18-9-7-17(8-10-18)24(30)26-21-15-19(11-12-22(21)29)34(31,32)27-20-5-3-4-6-23(20)33-2/h3-15,27,29H,1-2H3,(H,26,30)
InChIKeyLZLVBSKFFLTPLS-UHFFFAOYSA-N
XLogP3.95
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55377881
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243
4-[(2-methoxyphenyl)sulfamoyl]-N-(4-pyrazol-1-ylphenyl)benzamide
CID 39463274
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24635874
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9270943
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 46683088) is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-n3nccc3C)cc2)c1.
What is the InChIKey of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is LZLVBSKFFLTPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-16-13-14-25-28(16)18-9-7-17(8-10-18)24(30)26-21-15-19(11-12-22(21)29)34(31,32)27-20-5-3-4-6-23(20)33-2/h3-15,27,29H,1-2H3,(H,26,30).
What are the key properties of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 478.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 46683088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).