4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C19H23N3O4S — CID 6472769

IUPAC4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O4S/c1-26-18-8-7-16(12-17(18)19(23)22-10-3-2-4-11-22)27(24,25)21-14-15-6-5-9-20-13-15/h5-9,12-13,21H,2-4,10-11,14H2,1H3
InChIKeyZCYDRDCSXXMQND-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.19
Rot. Bonds6

About 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 6472769) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID6472769
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O4S/c1-26-18-8-7-16(12-17(18)19(23)22-10-3-2-4-11-22)27(24,25)21-14-15-6-5-9-20-13-15/h5-9,12-13,21H,2-4,10-11,14H2,1H3
InChIKeyZCYDRDCSXXMQND-UHFFFAOYSA-N
XLogP2.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 6472769) is 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(=O)N1CCCCC1.
What is the InChIKey of 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZCYDRDCSXXMQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-8-7-16(12-17(18)19(23)22-10-3-2-4-11-22)27(24,25)21-14-15-6-5-9-20-13-15/h5-9,12-13,21H,2-4,10-11,14H2,1H3.
What are the key properties of 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6472769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).