N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide

C15H12N2O2S — CID 142129828

IUPACN'-phenylsulfanyl-1-benzofuran-2-carbohydrazide
SMILESO=C(NNSc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C15H12N2O2S/c18-15(16-17-20-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)19-14/h1-10,17H,(H,16,18)
InChIKeyDRTJBPQXDPBWHO-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.37
Rot. Bonds4

About N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide

N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide (PubChem CID 142129828) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-phenylsulfanyl-1-benzofuran-2-carbohydrazide
PubChem CID142129828
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN'-phenylsulfanyl-1-benzofuran-2-carbohydrazide
SMILESO=C(NNSc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C15H12N2O2S/c18-15(16-17-20-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)19-14/h1-10,17H,(H,16,18)
InChIKeyDRTJBPQXDPBWHO-UHFFFAOYSA-N
XLogP3.37
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methylphenyl)sulfanylamino]-N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide
CID 142129833
5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide
CID 142129816
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-[(3-phenoxyphenyl)sulfanylcarbamoyl]-1-benzofuran-2-carboxamide
CID 87657495
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
1-(1-benzofuran-2-carbonylamino)-3-(4-bromophenyl)thiourea
CID 11257786
N',N'-dibenzyl-1-benzofuran-2-carbohydrazide
CID 9293807
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887

Frequently Asked Questions

What is the IUPAC name of N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide (CID 142129828) is N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide is O=C(NNSc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide?
The InChIKey is DRTJBPQXDPBWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-15(16-17-20-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)19-14/h1-10,17H,(H,16,18).
What are the key properties of N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide?
N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide has a molecular weight of 284.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 142129828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).