4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide

C14H10BrN3O3S — CID 26951550

IUPAC4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
SMILESN#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10BrN3O3S/c15-12-5-3-11(4-6-12)14(19)17-18-22(20,21)13-7-1-10(9-16)2-8-13/h1-8,18H,(H,17,19)
InChIKeyAJBIXYNZTUVXKE-UHFFFAOYSA-N
MW380.22 g/mol
LogP1.94
Rot. Bonds4

About 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide

4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide (PubChem CID 26951550) has the molecular formula C14H10BrN3O3S and a molecular weight of 380.22 g/mol. Its IUPAC name is 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
PubChem CID26951550
Molecular FormulaC14H10BrN3O3S
Molecular Weight380.22 g/mol
Exact Mass378.96
IUPAC Name4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
SMILESN#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10BrN3O3S/c15-12-5-3-11(4-6-12)14(19)17-18-22(20,21)13-7-1-10(9-16)2-8-13/h1-8,18H,(H,17,19)
InChIKeyAJBIXYNZTUVXKE-UHFFFAOYSA-N
XLogP1.94
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 51.94
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'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 26951568
N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
CID 26980395
4-bromo-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 26951559
N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
CID 10172619
4-bromo-N'-[2-(4-cyanoanilino)acetyl]benzohydrazide
CID 78782359
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
CID 2083431
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
4-cyano-N-methylsulfonylbenzamide
CID 47232721
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide (CID 26951550) is 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide is N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide?
The InChIKey is AJBIXYNZTUVXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3S/c15-12-5-3-11(4-6-12)14(19)17-18-22(20,21)13-7-1-10(9-16)2-8-13/h1-8,18H,(H,17,19).
What are the key properties of 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide?
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide has a molecular weight of 380.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 26951550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).