4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C16H25N3O3S — CID 119512422

IUPAC4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2CCCN2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)15-9-7-13(8-10-15)16(20)18-12-14-6-5-11-17-14/h7-10,14,17H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyLPLDZDAPERXGDT-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.20
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide

4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119512422) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119512422
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2CCCN2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)15-9-7-13(8-10-15)16(20)18-12-14-6-5-11-17-14/h7-10,14,17H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyLPLDZDAPERXGDT-UHFFFAOYSA-N
XLogP1.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119511111
4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511489
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 8839766
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514308
4-[(4-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510406
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064828
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511031
3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512431

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119512422) is 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2CCCN2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is LPLDZDAPERXGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)15-9-7-13(8-10-15)16(20)18-12-14-6-5-11-17-14/h7-10,14,17H,3-6,11-12H2,1-2H3,(H,18,20).
What are the key properties of 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119512422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).