N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide

C14H13BrN2O4S — CID 8615398

IUPACN'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C14H13BrN2O4S/c1-21-11-8-6-10(7-9-11)14(18)16-17-22(19,20)13-5-3-2-4-12(13)15/h2-9,17H,1H3,(H,16,18)
InChIKeyYLFIUKXEVZPHSI-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.08
Rot. Bonds5

About N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide

N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide (PubChem CID 8615398) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide
PubChem CID8615398
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC NameN'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C14H13BrN2O4S/c1-21-11-8-6-10(7-9-11)14(18)16-17-22(19,20)13-5-3-2-4-12(13)15/h2-9,17H,1H3,(H,16,18)
InChIKeyYLFIUKXEVZPHSI-UHFFFAOYSA-N
XLogP2.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(4-methoxybenzoyl)amino]sulfamoyl]benzoate
CID 8615357
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide
CID 110166941
2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539257
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide?
The IUPAC name of N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide (CID 8615398) is N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide?
The canonical SMILES for N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide is COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2Br)cc1.
What is the InChIKey of N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide?
The InChIKey is YLFIUKXEVZPHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c1-21-11-8-6-10(7-9-11)14(18)16-17-22(19,20)13-5-3-2-4-12(13)15/h2-9,17H,1H3,(H,16,18).
What are the key properties of N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide?
N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide has a molecular weight of 385.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide is sourced from PubChem (CID 8615398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).