N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide

C17H18ClN3O6S2 — CID 42996196

IUPACN'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18ClN3O6S2/c18-15-6-1-2-7-16(15)28(23,24)20-19-17(22)13-4-3-5-14(12-13)29(25,26)21-8-10-27-11-9-21/h1-7,12,20H,8-11H2,(H,19,22)
InChIKeyQVTPYLNFVXIDAK-UHFFFAOYSA-N
MW459.93 g/mol
LogP0.98
Rot. Bonds6

About N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 42996196) has the molecular formula C17H18ClN3O6S2 and a molecular weight of 459.93 g/mol. Its IUPAC name is N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID42996196
Molecular FormulaC17H18ClN3O6S2
Molecular Weight459.93 g/mol
Exact Mass459.03
IUPAC NameN'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18ClN3O6S2/c18-15-6-1-2-7-16(15)28(23,24)20-19-17(22)13-4-3-5-14(12-13)29(25,26)21-8-10-27-11-9-21/h1-7,12,20H,8-11H2,(H,19,22)
InChIKeyQVTPYLNFVXIDAK-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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Related Compounds

3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N'-(2-bromo-4,6-difluorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2110787
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
3-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 2578784
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393
N'-(4-acetylphenyl)sulfonyl-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 26969406

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide (CID 42996196) is N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is QVTPYLNFVXIDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O6S2/c18-15-6-1-2-7-16(15)28(23,24)20-19-17(22)13-4-3-5-14(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'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(2-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'-(2-chlorophenyl)sulfonyl-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 42996196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).