N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

C25H26FN3O5S2 — CID 99957022

IUPACN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H26FN3O5S2/c26-21-8-10-23(11-9-21)28-36(33,34)24-14-12-22(13-15-24)27-25(30)20-6-4-19(5-7-20)18-35(31,32)29-16-2-1-3-17-29/h4-15,28H,1-3,16-18H2,(H,27,30)
InChIKeyBWOGMZNNHOOZRP-UHFFFAOYSA-N
MW531.63 g/mol
LogP4.19
Rot. Bonds8

About N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 99957022) has the molecular formula C25H26FN3O5S2 and a molecular weight of 531.63 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID99957022
Molecular FormulaC25H26FN3O5S2
Molecular Weight531.63 g/mol
Exact Mass531.13
IUPAC NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H26FN3O5S2/c26-21-8-10-23(11-9-21)28-36(33,34)24-14-12-22(13-15-24)27-25(30)20-6-4-19(5-7-20)18-35(31,32)29-16-2-1-3-17-29/h4-15,28H,1-3,16-18H2,(H,27,30)
InChIKeyBWOGMZNNHOOZRP-UHFFFAOYSA-N
XLogP4.19
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.63
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575104
N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43904843
4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 43909304
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99940107
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 99957022) is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is BWOGMZNNHOOZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5S2/c26-21-8-10-23(11-9-21)28-36(33,34)24-14-12-22(13-15-24)27-25(30)20-6-4-19(5-7-20)18-35(31,32)29-16-2-1-3-17-29/h4-15,28H,1-3,16-18H2,(H,27,30).
What are the key properties of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 531.63 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 99957022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).