2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide

C16H22ClN3O3S — CID 25161516

IUPAC2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C16H22ClN3O3S/c1-2-19-7-9-20(10-8-19)24(22,23)13-5-6-15(17)14(11-13)16(21)18-12-3-4-12/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,21)
InChIKeyKDBCKTGTWPDPCB-UHFFFAOYSA-N
MW371.89 g/mol
LogP1.56
Rot. Bonds5

About 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide

2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 25161516) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide
PubChem CID25161516
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C16H22ClN3O3S/c1-2-19-7-9-20(10-8-19)24(22,23)13-5-6-15(17)14(11-13)16(21)18-12-3-4-12/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,21)
InChIKeyKDBCKTGTWPDPCB-UHFFFAOYSA-N
XLogP1.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide (CID 25161516) is 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide is CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CC3)c2)CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is KDBCKTGTWPDPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c1-2-19-7-9-20(10-8-19)24(22,23)13-5-6-15(17)14(11-13)16(21)18-12-3-4-12/h5-6,11-12H,2-4,7-10H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide?
2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 371.89 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 25161516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).