3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C18H21ClN2O5S2 — CID 5190874

IUPAC3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H21ClN2O5S2/c1-26-17-9-8-15(20-27(22,23)16-7-5-6-14(19)12-16)13-18(17)28(24,25)21-10-3-2-4-11-21/h5-9,12-13,20H,2-4,10-11H2,1H3
InChIKeyUUTTYFNKGLGQDN-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.32
Rot. Bonds6

About 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 5190874) has the molecular formula C18H21ClN2O5S2 and a molecular weight of 444.96 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID5190874
Molecular FormulaC18H21ClN2O5S2
Molecular Weight444.96 g/mol
Exact Mass444.06
IUPAC Name3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H21ClN2O5S2/c1-26-17-9-8-15(20-27(22,23)16-7-5-6-14(19)12-16)13-18(17)28(24,25)21-10-3-2-4-11-21/h5-9,12-13,20H,2-4,10-11H2,1H3
InChIKeyUUTTYFNKGLGQDN-UHFFFAOYSA-N
XLogP3.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 5190874) is 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is UUTTYFNKGLGQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S2/c1-26-17-9-8-15(20-27(22,23)16-7-5-6-14(19)12-16)13-18(17)28(24,25)21-10-3-2-4-11-21/h5-9,12-13,20H,2-4,10-11H2,1H3.
What are the key properties of 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 444.96 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 5190874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).