2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

C18H18Cl2N2O3S — CID 7636345

IUPAC2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1N1CCCCC1=O
InChIInChI=1S/C18H18Cl2N2O3S/c1-12-5-7-14(11-16(12)22-9-3-2-4-18(22)23)21-26(24,25)17-10-13(19)6-8-15(17)20/h5-8,10-11,21H,2-4,9H2,1H3
InChIKeyJSSXEDOQBSSPBK-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.62
Rot. Bonds4

About 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7636345) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7636345
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1N1CCCCC1=O
InChIInChI=1S/C18H18Cl2N2O3S/c1-12-5-7-14(11-16(12)22-9-3-2-4-18(22)23)21-26(24,25)17-10-13(19)6-8-15(17)20/h5-8,10-11,21H,2-4,9H2,1H3
InChIKeyJSSXEDOQBSSPBK-UHFFFAOYSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635998
4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636338
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636353
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide
CID 7636321
2,4,5-trimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636155
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532674
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636428
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636043
2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636371
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7636431

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 7636345) is 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1N1CCCCC1=O.
What is the InChIKey of 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is JSSXEDOQBSSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-12-5-7-14(11-16(12)22-9-3-2-4-18(22)23)21-26(24,25)17-10-13(19)6-8-15(17)20/h5-8,10-11,21H,2-4,9H2,1H3.
What are the key properties of 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 413.33 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7636345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).