N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide

C15H20N2O3S — CID 100619770

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C15H20N2O3S/c1-16-21(19,20)13-4-2-3-12(9-13)15(18)17-14-8-10-5-6-11(14)7-10/h2-4,9-11,14,16H,5-8H2,1H3,(H,17,18)/t10-,11-,14-/m1/s1
InChIKeyXHUPVKVROUVSKK-JTNHKYCSSA-N
MW308.40 g/mol
LogP1.51
Rot. Bonds4

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide (PubChem CID 100619770) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
PubChem CID100619770
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C15H20N2O3S/c1-16-21(19,20)13-4-2-3-12(9-13)15(18)17-14-8-10-5-6-11(14)7-10/h2-4,9-11,14,16H,5-8H2,1H3,(H,17,18)/t10-,11-,14-/m1/s1
InChIKeyXHUPVKVROUVSKK-JTNHKYCSSA-N
XLogP1.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylsulfamoyl)benzamide
CID 133231330
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
CID 125073112
N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50944716
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
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
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 18555718

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide (CID 100619770) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is XHUPVKVROUVSKK-JTNHKYCSSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-16-21(19,20)13-4-2-3-12(9-13)15(18)17-14-8-10-5-6-11(14)7-10/h2-4,9-11,14,16H,5-8H2,1H3,(H,17,18)/t10-,11-,14-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 308.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 100619770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).