N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide

C21H24N2O4S — CID 2324307

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C34CCC(CC3)C4)cc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-27-18-6-2-17(3-7-18)23-28(25,26)19-8-4-16(5-9-19)22-20(24)21-12-10-15(14-21)11-13-21/h2-9,15,23H,10-14H2,1H3,(H,22,24)
InChIKeyLHLFWIUJAMEZJM-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.01
Rot. Bonds6

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2324307) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2324307
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C34CCC(CC3)C4)cc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-27-18-6-2-17(3-7-18)23-28(25,26)19-8-4-16(5-9-19)22-20(24)21-12-10-15(14-21)11-13-21/h2-9,15,23H,10-14H2,1H3,(H,22,24)
InChIKeyLHLFWIUJAMEZJM-UHFFFAOYSA-N
XLogP4.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 20971593
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 92673900
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24683129
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide (CID 2324307) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C34CCC(CC3)C4)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is LHLFWIUJAMEZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-27-18-6-2-17(3-7-18)23-28(25,26)19-8-4-16(5-9-19)22-20(24)21-12-10-15(14-21)11-13-21/h2-9,15,23H,10-14H2,1H3,(H,22,24).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2324307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).