2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide

C21H20N2O5S — CID 15859211

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NO)cc1
InChIInChI=1S/C21H20N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-14,25H,15H2,1H3,(H,22,24)
InChIKeyQRWJUWNAJTZLAE-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.21
Rot. Bonds7

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide (PubChem CID 15859211) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide
PubChem CID15859211
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NO)cc1
InChIInChI=1S/C21H20N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-14,25H,15H2,1H3,(H,22,24)
InChIKeyQRWJUWNAJTZLAE-UHFFFAOYSA-N
XLogP3.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9959421
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 17866675
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-hydroxycarbamoylmethoxy-benzamide
CID 44316333
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-amino}-N-hydroxy-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 10076090
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
5-Bromo-N-hydroxy-3-methyl-2-{methyl-[4-(3-phenyl-prop-2-ynyloxy)-benzenesulfonyl]-amino}-benzamide
CID 9806970
1-(5-fluoro-2-methylbenzoyl)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9827807
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-chloro-N-hydroxy-benzamide
CID 9846437
N-[4-[[3-(hydroxyamino)-3-oxopropyl]-[2-(4-methoxyphenyl)ethyl]sulfamoyl]phenyl]benzamide
CID 9870477

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide (CID 15859211) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide?
The InChIKey is QRWJUWNAJTZLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-14,25H,15H2,1H3,(H,22,24).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide has a molecular weight of 412.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxybenzamide is sourced from PubChem (CID 15859211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).