4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C20H24ClN3O5S2 — CID 2531912

IUPAC4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H24ClN3O5S2/c21-18-9-6-16(14-19(18)31(28,29)24-12-2-1-3-13-24)20(25)23-11-10-15-4-7-17(8-5-15)30(22,26)27/h4-9,14H,1-3,10-13H2,(H,23,25)(H2,22,26,27)
InChIKeyTVRWZUWQSRUFSV-UHFFFAOYSA-N
MW486.02 g/mol
LogP2.13
Rot. Bonds7

About 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 2531912) has the molecular formula C20H24ClN3O5S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID2531912
Molecular FormulaC20H24ClN3O5S2
Molecular Weight486.02 g/mol
Exact Mass485.08
IUPAC Name4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H24ClN3O5S2/c21-18-9-6-16(14-19(18)31(28,29)24-12-2-1-3-13-24)20(25)23-11-10-15-4-7-17(8-5-15)30(22,26)27/h4-9,14H,1-3,10-13H2,(H,23,25)(H2,22,26,27)
InChIKeyTVRWZUWQSRUFSV-UHFFFAOYSA-N
XLogP2.13
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 2531912) is 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is TVRWZUWQSRUFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S2/c21-18-9-6-16(14-19(18)31(28,29)24-12-2-1-3-13-24)20(25)23-11-10-15-4-7-17(8-5-15)30(22,26)27/h4-9,14H,1-3,10-13H2,(H,23,25)(H2,22,26,27).
What are the key properties of 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 486.02 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 2531912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).