N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide

C22H29FN2O5S2 — CID 90200688

IUPACN-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
SMILESCC(C)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-5-18(23)15-19)32(28,29)22-9-7-20(8-10-22)30-21-11-13-24(14-12-21)31(3,26)27/h4-10,15,17,21H,11-14,16H2,1-3H3
InChIKeyLJUTVVFPMKZZOV-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.48
Rot. Bonds8

About N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide

N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide (PubChem CID 90200688) has the molecular formula C22H29FN2O5S2 and a molecular weight of 484.62 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
PubChem CID90200688
Molecular FormulaC22H29FN2O5S2
Molecular Weight484.62 g/mol
Exact Mass484.15
IUPAC NameN-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
SMILESCC(C)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-5-18(23)15-19)32(28,29)22-9-7-20(8-10-22)30-21-11-13-24(14-12-21)31(3,26)27/h4-10,15,17,21H,11-14,16H2,1-3H3
InChIKeyLJUTVVFPMKZZOV-UHFFFAOYSA-N
XLogP3.48
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
4-Methoxy-N-[4-(piperidine-1-sulfonyl)-phenyl]-benzenesulfonamide
CID 652426
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337
N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4880111
1-(4-Butoxyphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2921330
6-[4-(2,6-Difluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 25243718
4-Methoxy-N-{3-[4-(o-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42388975
4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42389467
4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]-1-methyl-propyl}-benzenesulfonamide
CID 42635571
N-(4-Fluoro-phenyl)-N-isobutyl-4-(1-methanesulfonyl-piperidin-4-yloxy)-benzenesulfonamide
CID 76284182
N-(2-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
CID 90201160

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide (CID 90200688) is N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide is CC(C)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide?
The InChIKey is LJUTVVFPMKZZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-5-18(23)15-19)32(28,29)22-9-7-20(8-10-22)30-21-11-13-24(14-12-21)31(3,26)27/h4-10,15,17,21H,11-14,16H2,1-3H3.
What are the key properties of N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide?
N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide has a molecular weight of 484.62 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide is sourced from PubChem (CID 90200688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).