N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide

C21H24N2O4S — CID 133203505

IUPACN-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC4CCC3C4)cc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-27-18-8-10-19(11-9-18)28(25,26)23-17-6-4-15(5-7-17)21(24)22-20-13-14-2-3-16(20)12-14/h4-11,14,16,20,23H,2-3,12-13H2,1H3,(H,22,24)/t14?,16?,20-/m1/s1
InChIKeyDSIQFGBKRZPAOT-QJXPYNDKSA-N
MW400.50 g/mol
LogP3.41
Rot. Bonds6

About N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide

N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 133203505) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID133203505
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC4CCC3C4)cc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-27-18-8-10-19(11-9-18)28(25,26)23-17-6-4-15(5-7-17)21(24)22-20-13-14-2-3-16(20)12-14/h4-11,14,16,20,23H,2-3,12-13H2,1H3,(H,22,24)/t14?,16?,20-/m1/s1
InChIKeyDSIQFGBKRZPAOT-QJXPYNDKSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203406
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132670341
N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
CID 132668447
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2083250
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855543
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide
CID 133203412
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 133203505) is N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC4CCC3C4)cc2)cc1.
What is the InChIKey of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is DSIQFGBKRZPAOT-QJXPYNDKSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-27-18-8-10-19(11-9-18)28(25,26)23-17-6-4-15(5-7-17)21(24)22-20-13-14-2-3-16(20)12-14/h4-11,14,16,20,23H,2-3,12-13H2,1H3,(H,22,24)/t14?,16?,20-/m1/s1.
What are the key properties of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 400.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 133203505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).