4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

C26H22Cl3N5O3S — CID 21314856

IUPAC4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1
InChIInChI=1S/C26H22Cl3N5O3S/c27-17-1-7-21-24(9-10-30-25(21)15-17)31-18-2-5-20(6-3-18)38(36,37)34-13-11-33(12-14-34)26(35)32-19-4-8-22(28)23(29)16-19/h1-10,15-16H,11-14H2,(H,30,31)(H,32,35)
InChIKeyFPEBKLCITXXDNB-UHFFFAOYSA-N
MW590.92 g/mol
LogP6.48
Rot. Bonds5

About 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 21314856) has the molecular formula C26H22Cl3N5O3S and a molecular weight of 590.92 g/mol. Its IUPAC name is 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID21314856
Molecular FormulaC26H22Cl3N5O3S
Molecular Weight590.92 g/mol
Exact Mass589.05
IUPAC Name4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1
InChIInChI=1S/C26H22Cl3N5O3S/c27-17-1-7-21-24(9-10-30-25(21)15-17)31-18-2-5-20(6-3-18)38(36,37)34-13-11-33(12-14-34)26(35)32-19-4-8-22(28)23(29)16-19/h1-10,15-16H,11-14H2,(H,30,31)(H,32,35)
InChIKeyFPEBKLCITXXDNB-UHFFFAOYSA-N
XLogP6.48
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.92
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide 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

7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine
CID 21314880
1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-3-phenylurea
CID 71530749
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
1-(4-chlorophenyl)sulfonyl-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 100798913
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
4-(7-chloroquinolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 134142480
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314810
6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
CID 39850740

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide (CID 21314856) is 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)CC1.
What is the InChIKey of 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is FPEBKLCITXXDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3N5O3S/c27-17-1-7-21-24(9-10-30-25(21)15-17)31-18-2-5-20(6-3-18)38(36,37)34-13-11-33(12-14-34)26(35)32-19-4-8-22(28)23(29)16-19/h1-10,15-16H,11-14H2,(H,30,31)(H,32,35).
What are the key properties of 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 590.92 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 21314856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).