N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C17H28ClN3O3S — CID 119530957

IUPACN-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(NS(=O)(=O)CCC)cc1)C1CCNC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-3-11-20(16-9-10-18-13-16)17(21)14-5-7-15(8-6-14)19-24(22,23)12-4-2;/h5-8,16,18-19H,3-4,9-13H2,1-2H3;1H
InChIKeyZJNLCESHZDNWSF-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.47
Rot. Bonds8

About N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride

N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119530957) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119530957
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(NS(=O)(=O)CCC)cc1)C1CCNC1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-3-11-20(16-9-10-18-13-16)17(21)14-5-7-15(8-6-14)19-24(22,23)12-4-2;/h5-8,16,18-19H,3-4,9-13H2,1-2H3;1H
InChIKeyZJNLCESHZDNWSF-UHFFFAOYSA-N
XLogP2.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825087
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531108
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
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119530957) is N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(NS(=O)(=O)CCC)cc1)C1CCNC1.Cl.
What is the InChIKey of N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is ZJNLCESHZDNWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-3-11-20(16-9-10-18-13-16)17(21)14-5-7-15(8-6-14)19-24(22,23)12-4-2;/h5-8,16,18-19H,3-4,9-13H2,1-2H3;1H.
What are the key properties of N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119530957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).