N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide

C20H22ClN3O4S — CID 24660007

IUPACN-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C20H22ClN3O4S/c21-18-9-8-16(29(27,28)24-12-4-5-13-24)14-17(18)20(26)23-11-10-22-19(25)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,22,25)(H,23,26)
InChIKeyBORQUXRUTJNODN-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.28
Rot. Bonds7

About N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide

N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 24660007) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID24660007
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC NameN-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C20H22ClN3O4S/c21-18-9-8-16(29(27,28)24-12-4-5-13-24)14-17(18)20(26)23-11-10-22-19(25)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,22,25)(H,23,26)
InChIKeyBORQUXRUTJNODN-UHFFFAOYSA-N
XLogP2.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide 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

2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
2-chloro-N-(2-pyrrolidin-1-ylethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387613
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide (CID 24660007) is N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BORQUXRUTJNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c21-18-9-8-16(29(27,28)24-12-4-5-13-24)14-17(18)20(26)23-11-10-22-19(25)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,22,25)(H,23,26).
What are the key properties of N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 435.93 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24660007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).