2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide

C21H26ClN3O3S2 — CID 26292598

IUPAC2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1
InChIInChI=1S/C21H26ClN3O3S2/c1-24(2)20-10-8-16(30(27,28)25-11-5-4-6-12-25)14-19(20)23-21(26)17-13-15(29-3)7-9-18(17)22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,26)
InChIKeyRDIYYIKCOAYJIU-UHFFFAOYSA-N
MW468.04 g/mol
LogP4.55
Rot. Bonds6

About 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide

2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide (PubChem CID 26292598) has the molecular formula C21H26ClN3O3S2 and a molecular weight of 468.04 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
PubChem CID26292598
Molecular FormulaC21H26ClN3O3S2
Molecular Weight468.04 g/mol
Exact Mass467.11
IUPAC Name2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1
InChIInChI=1S/C21H26ClN3O3S2/c1-24(2)20-10-8-16(30(27,28)25-11-5-4-6-12-25)14-19(20)23-21(26)17-13-15(29-3)7-9-18(17)22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,26)
InChIKeyRDIYYIKCOAYJIU-UHFFFAOYSA-N
XLogP4.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.04
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 26523987
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide
CID 16615167
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 33298247
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711
2-chloro-N-[(4-methylsulfanylphenyl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387438
2-chloro-5-methylsulfanyl-N-(8-pyrrolidin-1-ylsulfonyldibenzofuran-3-yl)benzamide
CID 4918844
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521747
4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 55666676
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33297886
1-cyclohexyl-3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]thiourea
CID 4836004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide (CID 26292598) is 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)c1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide?
The InChIKey is RDIYYIKCOAYJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S2/c1-24(2)20-10-8-16(30(27,28)25-11-5-4-6-12-25)14-19(20)23-21(26)17-13-15(29-3)7-9-18(17)22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,26).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide?
2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide has a molecular weight of 468.04 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 26292598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).