4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide

C15H23N3O3S — CID 9163758

IUPAC4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-17(2)16-15(19)13-7-9-14(10-8-13)22(20,21)18-11-5-3-4-6-12-18/h7-10H,3-6,11-12H2,1-2H3,(H,16,19)
InChIKeyRQOOMNQXOTXRAT-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.46
Rot. Bonds4

About 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide

4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide (PubChem CID 9163758) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
PubChem CID9163758
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-17(2)16-15(19)13-7-9-14(10-8-13)22(20,21)18-11-5-3-4-6-12-18/h7-10H,3-6,11-12H2,1-2H3,(H,16,19)
InChIKeyRQOOMNQXOTXRAT-UHFFFAOYSA-N
XLogP1.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9479606
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 4881417
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92642400
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide (CID 9163758) is 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide is CN(C)NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide?
The InChIKey is RQOOMNQXOTXRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17(2)16-15(19)13-7-9-14(10-8-13)22(20,21)18-11-5-3-4-6-12-18/h7-10H,3-6,11-12H2,1-2H3,(H,16,19).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide?
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide has a molecular weight of 325.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 9163758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).