2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide

C13H18ClN3O4S — CID 9163691

IUPAC2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCN(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C13H18ClN3O4S/c1-16(2)15-13(18)11-9-10(3-4-12(11)14)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyMKOGYTGCIXOHBH-UHFFFAOYSA-N
MW347.82 g/mol
LogP0.57
Rot. Bonds4

About 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide

2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 9163691) has the molecular formula C13H18ClN3O4S and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID9163691
Molecular FormulaC13H18ClN3O4S
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC Name2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCN(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C13H18ClN3O4S/c1-16(2)15-13(18)11-9-10(3-4-12(11)14)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyMKOGYTGCIXOHBH-UHFFFAOYSA-N
XLogP0.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-chloro-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9180321
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 2343813
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 100507560
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 55899477

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide (CID 9163691) is 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide is CN(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is MKOGYTGCIXOHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4S/c1-16(2)15-13(18)11-9-10(3-4-12(11)14)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide?
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 347.82 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 9163691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).