5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide

C16H17ClN2O4S2 — CID 7636411

IUPAC5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1N1CCCCC1=O
InChIInChI=1S/C16H17ClN2O4S2/c1-23-13-6-5-11(10-12(13)19-9-3-2-4-15(19)20)18-25(21,22)16-8-7-14(17)24-16/h5-8,10,18H,2-4,9H2,1H3
InChIKeyCGWDSUJOYGVASD-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.73
Rot. Bonds5

About 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 7636411) has the molecular formula C16H17ClN2O4S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID7636411
Molecular FormulaC16H17ClN2O4S2
Molecular Weight400.91 g/mol
Exact Mass400.03
IUPAC Name5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1N1CCCCC1=O
InChIInChI=1S/C16H17ClN2O4S2/c1-23-13-6-5-11(10-12(13)19-9-3-2-4-15(19)20)18-25(21,22)16-8-7-14(17)24-16/h5-8,10,18H,2-4,9H2,1H3
InChIKeyCGWDSUJOYGVASD-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide (CID 7636411) is 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1N1CCCCC1=O.
What is the InChIKey of 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is CGWDSUJOYGVASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S2/c1-23-13-6-5-11(10-12(13)19-9-3-2-4-15(19)20)18-25(21,22)16-8-7-14(17)24-16/h5-8,10,18H,2-4,9H2,1H3.
What are the key properties of 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 400.91 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7636411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).