N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide

C17H18ClN3O6S2 — CID 2405718

IUPACN'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18ClN3O6S2/c18-14-4-6-15(7-5-14)28(23,24)20-19-17(22)13-2-1-3-16(12-13)29(25,26)21-8-10-27-11-9-21/h1-7,12,20H,8-11H2,(H,19,22)
InChIKeyNGNGVNVJTHEKLF-UHFFFAOYSA-N
MW459.93 g/mol
LogP0.98
Rot. Bonds6

About N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2405718) has the molecular formula C17H18ClN3O6S2 and a molecular weight of 459.93 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2405718
Molecular FormulaC17H18ClN3O6S2
Molecular Weight459.93 g/mol
Exact Mass459.03
IUPAC NameN'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18ClN3O6S2/c18-14-4-6-15(7-5-14)28(23,24)20-19-17(22)13-2-1-3-16(12-13)29(25,26)21-8-10-27-11-9-21/h1-7,12,20H,8-11H2,(H,19,22)
InChIKeyNGNGVNVJTHEKLF-UHFFFAOYSA-N
XLogP0.98
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2405718) is N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is NGNGVNVJTHEKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O6S2/c18-14-4-6-15(7-5-14)28(23,24)20-19-17(22)13-2-1-3-16(12-13)29(25,26)21-8-10-27-11-9-21/h1-7,12,20H,8-11H2,(H,19,22).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 459.93 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2405718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).