1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C17H19ClN2O4S — CID 1042562

IUPAC1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h1-6,11,13H,7-10,12H2,(H,19,21)
InChIKeyLETUQHBGUBCUTE-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.65
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 1042562) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID1042562
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h1-6,11,13H,7-10,12H2,(H,19,21)
InChIKeyLETUQHBGUBCUTE-UHFFFAOYSA-N
XLogP2.65
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
N1-(2-furylmethyl)-N1-(3-hydrazino-3-oxopropyl)-4-chlorobenzene-1-sulfonamide
CID 2822910
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4845889
2,4-Dichloro-N-furan-2-ylmethyl-5-(morpholine-4-sulfonyl)-benzamide
CID 653205
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CID 1295876
1-[(4-bromophenyl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 1327632
4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2822938
N1-benzyl-N4-(4-chlorobenzyl)-N4-(furan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3150744
N-(2-furylmethyl)-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
CID 3239602
4-chloro-N-[(5-methylfuran-2-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 54586573
N1-(furan-2-ylmethyl)-N2-((3-((4-methoxyphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 16194817

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 1042562) is 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LETUQHBGUBCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h1-6,11,13H,7-10,12H2,(H,19,21).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1042562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).