N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide

C14H13BrN2O4S — CID 26966791

IUPACN'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H13BrN2O4S/c1-21-12-8-7-11(15)9-13(12)22(19,20)17-16-14(18)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,16,18)
InChIKeyYKCDZCAIHQQFAP-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.08
Rot. Bonds5

About N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide

N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide (PubChem CID 26966791) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
PubChem CID26966791
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC NameN'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H13BrN2O4S/c1-21-12-8-7-11(15)9-13(12)22(19,20)17-16-14(18)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,16,18)
InChIKeyYKCDZCAIHQQFAP-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

N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
CID 8505522
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
N-(5-amino-2-methoxyphenyl)sulfonylbenzamide
CID 154261942
N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide
CID 8615398
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
[(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
CID 156698276
(2R)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115177
4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823855

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide?
The IUPAC name of N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide (CID 26966791) is N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide?
The canonical SMILES for N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide is COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide?
The InChIKey is YKCDZCAIHQQFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c1-21-12-8-7-11(15)9-13(12)22(19,20)17-16-14(18)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,16,18).
What are the key properties of N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide?
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide 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'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 26966791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).