2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C22H28ClN3O3S — CID 99972490

IUPAC2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)c(Cl)c2)cc1
InChIInChI=1S/C22H28ClN3O3S/c1-16-3-6-19(7-4-16)30(28,29)25-18-5-8-20(21(23)15-18)22(27)24-12-9-17-10-13-26(2)14-11-17/h3-8,15,17,25H,9-14H2,1-2H3,(H,24,27)
InChIKeyLFNXJVCINPBPML-UHFFFAOYSA-N
MW450.00 g/mol
LogP3.91
Rot. Bonds7

About 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 99972490) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID99972490
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)c(Cl)c2)cc1
InChIInChI=1S/C22H28ClN3O3S/c1-16-3-6-19(7-4-16)30(28,29)25-18-5-8-20(21(23)15-18)22(27)24-12-9-17-10-13-26(2)14-11-17/h3-8,15,17,25H,9-14H2,1-2H3,(H,24,27)
InChIKeyLFNXJVCINPBPML-UHFFFAOYSA-N
XLogP3.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide 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-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778171
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971504
N-(2-tert-butylsulfanylethyl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30398696
2-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28631759
4-(benzenesulfonamido)-2-chloro-N-(1-methylpiperidin-4-yl)benzamide
CID 99972488
2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 94027819
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 46772956
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971355
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2-chloro-N-(3-methylbutan-2-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133250022
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 99972490) is 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCN(C)CC3)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is LFNXJVCINPBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-16-3-6-19(7-4-16)30(28,29)25-18-5-8-20(21(23)15-18)22(27)24-12-9-17-10-13-26(2)14-11-17/h3-8,15,17,25H,9-14H2,1-2H3,(H,24,27).
What are the key properties of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 450.00 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 99972490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).