N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide

C19H19BrClN3O6S — CID 2409154

IUPACN'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H19BrClN3O6S/c20-13-1-3-14(4-2-13)30-12-18(25)22-23-19(26)16-11-15(5-6-17(16)21)31(27,28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26)
InChIKeyJSGPFPWSOIPKHN-UHFFFAOYSA-N
MW532.80 g/mol
LogP1.96
Rot. Bonds6

About N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide

N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2409154) has the molecular formula C19H19BrClN3O6S and a molecular weight of 532.80 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2409154
Molecular FormulaC19H19BrClN3O6S
Molecular Weight532.80 g/mol
Exact Mass530.99
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(COc1ccc(Br)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H19BrClN3O6S/c20-13-1-3-14(4-2-13)30-12-18(25)22-23-19(26)16-11-15(5-6-17(16)21)31(27,28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26)
InChIKeyJSGPFPWSOIPKHN-UHFFFAOYSA-N
XLogP1.96
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.80
LogP ≤ 51.96
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'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide (CID 2409154) is N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide is O=C(COc1ccc(Br)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is JSGPFPWSOIPKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O6S/c20-13-1-3-14(4-2-13)30-12-18(25)22-23-19(26)16-11-15(5-6-17(16)21)31(27,28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 532.80 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-2-chloro-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2409154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).