2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C23H30FN3O5S2 — CID 90221242

IUPAC2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C23H30FN3O5S2/c1-17(2)16-27(20-10-8-18(24)9-11-20)34(31,32)22-7-5-4-6-21(22)23(28)25-19-12-14-26(15-13-19)33(3,29)30/h4-11,17,19H,12-16H2,1-3H3,(H,25,28)
InChIKeyGEWVSWGKPXICEZ-UHFFFAOYSA-N
MW511.64 g/mol
LogP2.83
Rot. Bonds8

About 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide

2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 90221242) has the molecular formula C23H30FN3O5S2 and a molecular weight of 511.64 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID90221242
Molecular FormulaC23H30FN3O5S2
Molecular Weight511.64 g/mol
Exact Mass511.16
IUPAC Name2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C23H30FN3O5S2/c1-17(2)16-27(20-10-8-18(24)9-11-20)34(31,32)22-7-5-4-6-21(22)23(28)25-19-12-14-26(15-13-19)33(3,29)30/h4-11,17,19H,12-16H2,1-3H3,(H,25,28)
InChIKeyGEWVSWGKPXICEZ-UHFFFAOYSA-N
XLogP2.83
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 90221242) is 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is GEWVSWGKPXICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O5S2/c1-17(2)16-27(20-10-8-18(24)9-11-20)34(31,32)22-7-5-4-6-21(22)23(28)25-19-12-14-26(15-13-19)33(3,29)30/h4-11,17,19H,12-16H2,1-3H3,(H,25,28).
What are the key properties of 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 511.64 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-(2-methylpropyl)sulfamoyl]-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 90221242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).