4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide

C23H25ClN2O3S — CID 46055225

IUPAC4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3ccco3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN2O3S/c1-18-4-8-20(9-5-18)26(30(27,28)23-10-6-19(24)7-11-23)21-12-14-25(15-13-21)17-22-3-2-16-29-22/h2-11,16,21H,12-15,17H2,1H3
InChIKeyDBNKQAZACYORAT-UHFFFAOYSA-N
MW444.98 g/mol
LogP5.10
Rot. Bonds6

About 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide

4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 46055225) has the molecular formula C23H25ClN2O3S and a molecular weight of 444.98 g/mol. Its IUPAC name is 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID46055225
Molecular FormulaC23H25ClN2O3S
Molecular Weight444.98 g/mol
Exact Mass444.13
IUPAC Name4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3ccco3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN2O3S/c1-18-4-8-20(9-5-18)26(30(27,28)23-10-6-19(24)7-11-23)21-12-14-25(15-13-21)17-22-3-2-16-29-22/h2-11,16,21H,12-15,17H2,1H3
InChIKeyDBNKQAZACYORAT-UHFFFAOYSA-N
XLogP5.10
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.98
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3271562
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25162528
4-chloro-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 35325127
N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 71624058
N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 71624182
N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 71624302
2-chloro-N-(furan-2-ylmethyl)-5-[methyl(phenyl)sulfamoyl]benzamide
CID 2548271
3-[(dimethylamino)sulfonyl]-N-(2-furylmethyl)-N-(4-methylphenyl)benzamide
CID 1242717
2-{(4-chlorobenzyl)[(4-methylphenyl)sulfonyl]amino}-N-(2-furylmethyl)benzamide
CID 1287570
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide
CID 2401281
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 2499798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide (CID 46055225) is 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C2CCN(Cc3ccco3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is DBNKQAZACYORAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3S/c1-18-4-8-20(9-5-18)26(30(27,28)23-10-6-19(24)7-11-23)21-12-14-25(15-13-21)17-22-3-2-16-29-22/h2-11,16,21H,12-15,17H2,1H3.
What are the key properties of 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide?
4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 444.98 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 46055225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).