N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide

C17H16BrF2N3O6S2 — CID 2110787

IUPACN'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1c(F)cc(F)cc1Br)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16BrF2N3O6S2/c18-14-9-12(19)10-15(20)16(14)30(25,26)22-21-17(24)11-2-1-3-13(8-11)31(27,28)23-4-6-29-7-5-23/h1-3,8-10,22H,4-7H2,(H,21,24)
InChIKeyHUDOTFCZBCRENJ-UHFFFAOYSA-N
MW540.36 g/mol
LogP1.37
Rot. Bonds6

About N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2110787) has the molecular formula C17H16BrF2N3O6S2 and a molecular weight of 540.36 g/mol. Its IUPAC name is N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2110787
Molecular FormulaC17H16BrF2N3O6S2
Molecular Weight540.36 g/mol
Exact Mass538.96
IUPAC NameN'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1c(F)cc(F)cc1Br)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16BrF2N3O6S2/c18-14-9-12(19)10-15(20)16(14)30(25,26)22-21-17(24)11-2-1-3-13(8-11)31(27,28)23-4-6-29-7-5-23/h1-3,8-10,22H,4-7H2,(H,21,24)
InChIKeyHUDOTFCZBCRENJ-UHFFFAOYSA-N
XLogP1.37
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.36
LogP ≤ 51.37
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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Related Compounds

N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 42996196
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2110787) is N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1c(F)cc(F)cc1Br)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is HUDOTFCZBCRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N3O6S2/c18-14-9-12(19)10-15(20)16(14)30(25,26)22-21-17(24)11-2-1-3-13(8-11)31(27,28)23-4-6-29-7-5-23/h1-3,8-10,22H,4-7H2,(H,21,24).
What are the key properties of N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 540.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2110787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).