[4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate

C15H16N2O4S — CID 3678655

IUPAC[4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate
SMILESNNC(=O)c1ccc(OS(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S/c16-17-15(18)13-6-8-14(9-7-13)21-22(19,20)11-10-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyUGMRCMNBCKEBQC-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.24
Rot. Bonds6

About [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate

[4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate (PubChem CID 3678655) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate.

Molecular Properties

Compound Name[4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate
PubChem CID3678655
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate
SMILESNNC(=O)c1ccc(OS(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S/c16-17-15(18)13-6-8-14(9-7-13)21-22(19,20)11-10-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyUGMRCMNBCKEBQC-UHFFFAOYSA-N
XLogP1.24
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(4-phenoxyphenyl) 2-phenylethanesulfonate
CID 4012285
2-[4-(2-phenylethylsulfonyloxy)anilino]acetic acid
CID 88738798
(4-chlorophenyl) 2-phenylethanesulfonate
CID 14572616
[3-(benzylcarbamoyl)phenyl] 2-phenylethanesulfonate
CID 60538324
naphthalen-2-yl 2-phenylethanesulfonate
CID 3594047
[3-[[3-(2-phenylethylsulfonyloxy)phenyl]carbamoylamino]phenyl] 2-phenylethanesulfonate
CID 142536539
[4-(tetrazol-1-yl)phenyl] 2-phenylethanesulfonate
CID 60538267
[2-[[2-(2-phenylethylsulfonyloxy)phenyl]carbamoylamino]phenyl] 2-phenylethanesulfonate
CID 142536626
benzohydrazide;molybdenum
CID 162076561
diphenyl ethane-1,2-disulfonate
CID 4219954
(3-iodophenyl) 2-phenylethanesulfonate
CID 47315670
phenyl 2-(phenylmethoxycarbonylamino)ethanesulfonate
CID 151380826

Frequently Asked Questions

What is the IUPAC name of [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate?
The IUPAC name of [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate (CID 3678655) is [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate.
What is the SMILES notation for [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate?
The canonical SMILES for [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate is NNC(=O)c1ccc(OS(=O)(=O)CCc2ccccc2)cc1.
What is the InChIKey of [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate?
The InChIKey is UGMRCMNBCKEBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c16-17-15(18)13-6-8-14(9-7-13)21-22(19,20)11-10-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18).
What are the key properties of [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate?
[4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate has a molecular weight of 320.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydrazinecarbonyl)phenyl] 2-phenylethanesulfonate is sourced from PubChem (CID 3678655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).