N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide

C16H20N4O5S — CID 72881405

IUPACN-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
SMILESO=C(NCC1COCCO1)c1cccc(S(=O)(=O)NCc2ccn[nH]2)c1
InChIInChI=1S/C16H20N4O5S/c21-16(17-10-14-11-24-6-7-25-14)12-2-1-3-15(8-12)26(22,23)19-9-13-4-5-18-20-13/h1-5,8,14,19H,6-7,9-11H2,(H,17,21)(H,18,20)
InChIKeyZVAAODLLTPCRLI-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.03
Rot. Bonds7

About N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide

N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide (PubChem CID 72881405) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
PubChem CID72881405
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
SMILESO=C(NCC1COCCO1)c1cccc(S(=O)(=O)NCc2ccn[nH]2)c1
InChIInChI=1S/C16H20N4O5S/c21-16(17-10-14-11-24-6-7-25-14)12-2-1-3-15(8-12)26(22,23)19-9-13-4-5-18-20-13/h1-5,8,14,19H,6-7,9-11H2,(H,17,21)(H,18,20)
InChIKeyZVAAODLLTPCRLI-UHFFFAOYSA-N
XLogP0.03
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(furan-3-ylmethylsulfamoyl)benzamide
CID 97193975
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CID 77089657
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614671
3-(cyclohexen-1-ylmethylsulfamoyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 97208205
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide (CID 72881405) is N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide is O=C(NCC1COCCO1)c1cccc(S(=O)(=O)NCc2ccn[nH]2)c1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide?
The InChIKey is ZVAAODLLTPCRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c21-16(17-10-14-11-24-6-7-25-14)12-2-1-3-15(8-12)26(22,23)19-9-13-4-5-18-20-13/h1-5,8,14,19H,6-7,9-11H2,(H,17,21)(H,18,20).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide?
N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide has a molecular weight of 380.43 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 72881405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).