N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride

C15H24ClN3O3S — CID 119977058

IUPACN-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-2-15(19)18-13-3-5-14(6-4-13)22(20,21)17-10-8-12-7-9-16-11-12;/h3-6,12,16-17H,2,7-11H2,1H3,(H,18,19);1H
InChIKeyIQBPRXYQUPXQID-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.73
Rot. Bonds7

About N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride

N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119977058) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119977058
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-2-15(19)18-13-3-5-14(6-4-13)22(20,21)17-10-8-12-7-9-16-11-12;/h3-6,12,16-17H,2,7-11H2,1H3,(H,18,19);1H
InChIKeyIQBPRXYQUPXQID-UHFFFAOYSA-N
XLogP1.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977075
4-(2-methylbutan-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977232
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
N-[4-(2-piperazin-1-ylethylsulfamoyl)phenyl]propanamide
CID 119966333
N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
CID 119973592
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
3-bromo-4-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977238
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119977058) is N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride is CCC(=O)Nc1ccc(S(=O)(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is IQBPRXYQUPXQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-2-15(19)18-13-3-5-14(6-4-13)22(20,21)17-10-8-12-7-9-16-11-12;/h3-6,12,16-17H,2,7-11H2,1H3,(H,18,19);1H.
What are the key properties of N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride?
N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-3-ylethylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119977058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).