4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide

C16H24N4O4S — CID 134067071

IUPAC4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide
SMILESCN(CC1CCNN1)S(=O)(=O)c1ccc(C(=O)NC2CCOC2)cc1
InChIInChI=1S/C16H24N4O4S/c1-20(10-13-6-8-17-19-13)25(22,23)15-4-2-12(3-5-15)16(21)18-14-7-9-24-11-14/h2-5,13-14,17,19H,6-11H2,1H3,(H,18,21)
InChIKeyNTJFTPDDYYDHKZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.31
Rot. Bonds6

About 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide

4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide (PubChem CID 134067071) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide
PubChem CID134067071
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide
SMILESCN(CC1CCNN1)S(=O)(=O)c1ccc(C(=O)NC2CCOC2)cc1
InChIInChI=1S/C16H24N4O4S/c1-20(10-13-6-8-17-19-13)25(22,23)15-4-2-12(3-5-15)16(21)18-14-7-9-24-11-14/h2-5,13-14,17,19H,6-11H2,1H3,(H,18,21)
InChIKeyNTJFTPDDYYDHKZ-UHFFFAOYSA-N
XLogP-0.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide
CID 97130216
N-cyclopropyl-4-[1,4-dioxan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 70742998
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide
CID 97187419
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide (CID 134067071) is 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide is CN(CC1CCNN1)S(=O)(=O)c1ccc(C(=O)NC2CCOC2)cc1.
What is the InChIKey of 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide?
The InChIKey is NTJFTPDDYYDHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-20(10-13-6-8-17-19-13)25(22,23)15-4-2-12(3-5-15)16(21)18-14-7-9-24-11-14/h2-5,13-14,17,19H,6-11H2,1H3,(H,18,21).
What are the key properties of 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide?
4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide has a molecular weight of 368.46 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 134067071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).