N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C21H24N2O4S — CID 133203406

IUPACN-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CC4CCC3C4)c2)cc1
InChIInChI=1S/C21H24N2O4S/c1-27-18-7-9-19(10-8-18)28(25,26)23-17-4-2-3-16(13-17)21(24)22-20-12-14-5-6-15(20)11-14/h2-4,7-10,13-15,20,23H,5-6,11-12H2,1H3,(H,22,24)/t14?,15?,20-/m1/s1
InChIKeyUBSJMQGBAHJMOV-NODKNVJMSA-N
MW400.50 g/mol
LogP3.41
Rot. Bonds6

About N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide

N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 133203406) 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]-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID133203406
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CC4CCC3C4)c2)cc1
InChIInChI=1S/C21H24N2O4S/c1-27-18-7-9-19(10-8-18)28(25,26)23-17-4-2-3-16(13-17)21(24)22-20-12-14-5-6-15(20)11-14/h2-4,7-10,13-15,20,23H,5-6,11-12H2,1H3,(H,22,24)/t14?,15?,20-/m1/s1
InChIKeyUBSJMQGBAHJMOV-NODKNVJMSA-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]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203505
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132670341
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
CID 100619770
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126411292
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
CID 132668447
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
CID 2973945
N-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylsulfamoyl)benzamide
CID 133231330
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 133203406) is N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CC4CCC3C4)c2)cc1.
What is the InChIKey of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is UBSJMQGBAHJMOV-NODKNVJMSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-27-18-7-9-19(10-8-18)28(25,26)23-17-4-2-3-16(13-17)21(24)22-20-12-14-5-6-15(20)11-14/h2-4,7-10,13-15,20,23H,5-6,11-12H2,1H3,(H,22,24)/t14?,15?,20-/m1/s1.
What are the key properties of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(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]-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 133203406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).