2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide

C20H17ClN2OS — CID 5245438

IUPAC2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2OS/c21-16-11-13-19(14-12-16)25-15-20(24)22-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,22,24)
InChIKeyKGUQAVWLKDGEKG-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.30
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide

2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide (PubChem CID 5245438) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide
PubChem CID5245438
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide
SMILESO=C(CSc1ccc(Cl)cc1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2OS/c21-16-11-13-19(14-12-16)25-15-20(24)22-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,22,24)
InChIKeyKGUQAVWLKDGEKG-UHFFFAOYSA-N
XLogP5.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3947725
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide
CID 2765790
N-[3-(2-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999188
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
2-[carboxymethyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 63650372
N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
CID 115636458
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N',N'-diphenylacetohydrazide
CID 3995958

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide (CID 5245438) is 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide is O=C(CSc1ccc(Cl)cc1)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide?
The InChIKey is KGUQAVWLKDGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-16-11-13-19(14-12-16)25-15-20(24)22-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide?
2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide has a molecular weight of 368.89 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide is sourced from PubChem (CID 5245438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).