7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide

C20H25BrN2O5S — CID 142976543

IUPAC7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
SMILESCOc1ccc(N(CCCCCCC(=O)NO)S(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H25BrN2O5S/c1-28-18-12-10-17(11-13-18)23(14-5-3-2-4-9-20(24)22-25)29(26,27)19-8-6-7-16(21)15-19/h6-8,10-13,15,25H,2-5,9,14H2,1H3,(H,22,24)
InChIKeyFKFHQPNXELAJBW-UHFFFAOYSA-N
MW485.40 g/mol
LogP4.11
Rot. Bonds11

About 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide

7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide (PubChem CID 142976543) has the molecular formula C20H25BrN2O5S and a molecular weight of 485.40 g/mol. Its IUPAC name is 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
PubChem CID142976543
Molecular FormulaC20H25BrN2O5S
Molecular Weight485.40 g/mol
Exact Mass484.07
IUPAC Name7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
SMILESCOc1ccc(N(CCCCCCC(=O)NO)S(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H25BrN2O5S/c1-28-18-12-10-17(11-13-18)23(14-5-3-2-4-9-20(24)22-25)29(26,27)19-8-6-7-16(21)15-19/h6-8,10-13,15,25H,2-5,9,14H2,1H3,(H,22,24)
InChIKeyFKFHQPNXELAJBW-UHFFFAOYSA-N
XLogP4.11
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide 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

3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide
CID 174684850
2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide
CID 142976467
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
N-(3-bromophenyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46023029
N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
CID 142976535
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
methyl 3-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53286925
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide
CID 142976524
7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide
CID 11329486
3-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 163201385

Frequently Asked Questions

What is the IUPAC name of 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide?
The IUPAC name of 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide (CID 142976543) is 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide.
What is the SMILES notation for 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide?
The canonical SMILES for 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide is COc1ccc(N(CCCCCCC(=O)NO)S(=O)(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide?
The InChIKey is FKFHQPNXELAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O5S/c1-28-18-12-10-17(11-13-18)23(14-5-3-2-4-9-20(24)22-25)29(26,27)19-8-6-7-16(21)15-19/h6-8,10-13,15,25H,2-5,9,14H2,1H3,(H,22,24).
What are the key properties of 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide?
7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide has a molecular weight of 485.40 g/mol, XLogP of 4.11, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide is sourced from PubChem (CID 142976543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).