5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C18H20BrN3O7S — CID 21310813

IUPAC5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2c(CCC(=O)NO)cc(Br)cc2C(=O)NO)cc1
InChIInChI=1S/C18H20BrN3O7S/c1-22(30(27,28)14-6-4-13(29-2)5-7-14)17-11(3-8-16(23)20-25)9-12(19)10-15(17)18(24)21-26/h4-7,9-10,25-26H,3,8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFXWLEALDNQOYAO-UHFFFAOYSA-N
MW502.34 g/mol
LogP1.84
Rot. Bonds8

About 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 21310813) has the molecular formula C18H20BrN3O7S and a molecular weight of 502.34 g/mol. Its IUPAC name is 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound Name5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID21310813
Molecular FormulaC18H20BrN3O7S
Molecular Weight502.34 g/mol
Exact Mass501.02
IUPAC Name5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2c(CCC(=O)NO)cc(Br)cc2C(=O)NO)cc1
InChIInChI=1S/C18H20BrN3O7S/c1-22(30(27,28)14-6-4-13(29-2)5-7-14)17-11(3-8-16(23)20-25)9-12(19)10-15(17)18(24)21-26/h4-7,9-10,25-26H,3,8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFXWLEALDNQOYAO-UHFFFAOYSA-N
XLogP1.84
TPSA145.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.34
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-hydroxy-2-[[4-[3-(3-hydroxyphenyl)prop-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzamide
CID 23506744
5-bromo-2-[(4-butoxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid
CID 23506748
methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 70052990
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
methyl 5-bromo-2-[(4-hept-2-ynoxyphenyl)sulfonyl-methylamino]-3-methylbenzoate
CID 101161784
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
CID 142976543
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-pentan-2-ylamino]acetamide
CID 4224
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100799620
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10525561

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 21310813) is 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2c(CCC(=O)NO)cc(Br)cc2C(=O)NO)cc1.
What is the InChIKey of 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is FXWLEALDNQOYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O7S/c1-22(30(27,28)14-6-4-13(29-2)5-7-14)17-11(3-8-16(23)20-25)9-12(19)10-15(17)18(24)21-26/h4-7,9-10,25-26H,3,8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 502.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hydroxy-3-[3-(hydroxyamino)-3-oxopropyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 21310813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).