4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C18H24N2O4S3 — CID 3226730

IUPAC4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC(C)c3cccs3)cc2)C1
InChIInChI=1S/C18H24N2O4S3/c1-14-5-3-11-20(13-14)27(23,24)17-9-7-16(8-10-17)26(21,22)19-15(2)18-6-4-12-25-18/h4,6-10,12,14-15,19H,3,5,11,13H2,1-2H3
InChIKeyAJIDFZFPYVVBKW-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.21
Rot. Bonds6

About 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 3226730) has the molecular formula C18H24N2O4S3 and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID3226730
Molecular FormulaC18H24N2O4S3
Molecular Weight428.60 g/mol
Exact Mass428.09
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC(C)c3cccs3)cc2)C1
InChIInChI=1S/C18H24N2O4S3/c1-14-5-3-11-20(13-14)27(23,24)17-9-7-16(8-10-17)26(21,22)19-15(2)18-6-4-12-25-18/h4,6-10,12,14-15,19H,3,5,11,13H2,1-2H3
InChIKeyAJIDFZFPYVVBKW-UHFFFAOYSA-N
XLogP3.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 3226730) is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is CC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC(C)c3cccs3)cc2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is AJIDFZFPYVVBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S3/c1-14-5-3-11-20(13-14)27(23,24)17-9-7-16(8-10-17)26(21,22)19-15(2)18-6-4-12-25-18/h4,6-10,12,14-15,19H,3,5,11,13H2,1-2H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 428.60 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3226730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).