N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide

C15H23N3O3S — CID 119530020

IUPACN-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
SMILESCCCN(C(=O)c1ccc(CS(N)(=O)=O)cc1)C1CCNC1
InChIInChI=1S/C15H23N3O3S/c1-2-9-18(14-7-8-17-10-14)15(19)13-5-3-12(4-6-13)11-22(16,20)21/h3-6,14,17H,2,7-11H2,1H3,(H2,16,20,21)
InChIKeyRTADRHDYPQVEAU-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.69
Rot. Bonds6

About N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide

N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide (PubChem CID 119530020) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
PubChem CID119530020
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
SMILESCCCN(C(=O)c1ccc(CS(N)(=O)=O)cc1)C1CCNC1
InChIInChI=1S/C15H23N3O3S/c1-2-9-18(14-7-8-17-10-14)15(19)13-5-3-12(4-6-13)11-22(16,20)21/h3-6,14,17H,2,7-11H2,1H3,(H2,16,20,21)
InChIKeyRTADRHDYPQVEAU-UHFFFAOYSA-N
XLogP0.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825087
4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529858
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide (CID 119530020) is N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide is CCCN(C(=O)c1ccc(CS(N)(=O)=O)cc1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide?
The InChIKey is RTADRHDYPQVEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-9-18(14-7-8-17-10-14)15(19)13-5-3-12(4-6-13)11-22(16,20)21/h3-6,14,17H,2,7-11H2,1H3,(H2,16,20,21).
What are the key properties of N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide?
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide has a molecular weight of 325.43 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide is sourced from PubChem (CID 119530020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).