3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride

C26H26Cl2FN5O3S2 — CID 121043106

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCN(c2nc3ccc(F)cc3s2)CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H25ClFN5O3S2.ClH/c27-19-4-7-22(8-5-19)38(35,36)31-21-3-1-2-18(16-21)25(34)29-10-11-32-12-14-33(15-13-32)26-30-23-9-6-20(28)17-24(23)37-26;/h1-9,16-17,31H,10-15H2,(H,29,34);1H
InChIKeyFKBNMSSCGFPOJT-UHFFFAOYSA-N
MW610.56 g/mol
LogP4.86
Rot. Bonds8

About 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride

3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 121043106) has the molecular formula C26H26Cl2FN5O3S2 and a molecular weight of 610.56 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
PubChem CID121043106
Molecular FormulaC26H26Cl2FN5O3S2
Molecular Weight610.56 g/mol
Exact Mass609.08
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCN(c2nc3ccc(F)cc3s2)CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H25ClFN5O3S2.ClH/c27-19-4-7-22(8-5-19)38(35,36)31-21-3-1-2-18(16-21)25(34)29-10-11-32-12-14-33(15-13-32)26-30-23-9-6-20(28)17-24(23)37-26;/h1-9,16-17,31H,10-15H2,(H,29,34);1H
InChIKeyFKBNMSSCGFPOJT-UHFFFAOYSA-N
XLogP4.86
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.56
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride 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 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride (CID 121043106) is 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride is Cl.O=C(NCCN1CCN(c2nc3ccc(F)cc3s2)CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride?
The InChIKey is FKBNMSSCGFPOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O3S2.ClH/c27-19-4-7-22(8-5-19)38(35,36)31-21-3-1-2-18(16-21)25(34)29-10-11-32-12-14-33(15-13-32)26-30-23-9-6-20(28)17-24(23)37-26;/h1-9,16-17,31H,10-15H2,(H,29,34);1H.
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride?
3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 610.56 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 121043106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).