4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C17H21ClN2O3S — CID 35325127

IUPAC4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN2O3S/c1-19-10-8-15(9-11-19)20(13-16-3-2-12-23-16)24(21,22)17-6-4-14(18)5-7-17/h2-7,12,15H,8-11,13H2,1H3
InChIKeyAYCIKQGEBWOCAS-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.22
Rot. Bonds5

About 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 35325127) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID35325127
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN2O3S/c1-19-10-8-15(9-11-19)20(13-16-3-2-12-23-16)24(21,22)17-6-4-14(18)5-7-17/h2-7,12,15H,8-11,13H2,1H3
InChIKeyAYCIKQGEBWOCAS-UHFFFAOYSA-N
XLogP3.22
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 35325127) is 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is AYCIKQGEBWOCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-19-10-8-15(9-11-19)20(13-16-3-2-12-23-16)24(21,22)17-6-4-14(18)5-7-17/h2-7,12,15H,8-11,13H2,1H3.
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 368.89 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 35325127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).