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

C21H23ClN2O4S — CID 132670341

IUPACN-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC4CCC3C4)c(Cl)c2)cc1
InChIInChI=1S/C21H23ClN2O4S/c1-28-16-5-7-17(8-6-16)29(26,27)24-15-4-9-18(19(22)12-15)21(25)23-20-11-13-2-3-14(20)10-13/h4-9,12-14,20,24H,2-3,10-11H2,1H3,(H,23,25)/t13?,14?,20-/m1/s1
InChIKeyVLSLWDNHCNKNDJ-RUZSNYSVSA-N
MW434.95 g/mol
LogP4.07
Rot. Bonds6

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

N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 132670341) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID132670341
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC NameN-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC4CCC3C4)c(Cl)c2)cc1
InChIInChI=1S/C21H23ClN2O4S/c1-28-16-5-7-17(8-6-16)29(26,27)24-15-4-9-18(19(22)12-15)21(25)23-20-11-13-2-3-14(20)10-13/h4-9,12-14,20,24H,2-3,10-11H2,1H3,(H,23,25)/t13?,14?,20-/m1/s1
InChIKeyVLSLWDNHCNKNDJ-RUZSNYSVSA-N
XLogP4.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 54.07
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]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203406
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide
CID 133203412
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-nitrobenzamide
CID 11892754
N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
CID 132668447
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167683
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 7349405
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 11899053
4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46772538
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 132670341) is N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC4CCC3C4)c(Cl)c2)cc1.
What is the InChIKey of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is VLSLWDNHCNKNDJ-RUZSNYSVSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c1-28-16-5-7-17(8-6-16)29(26,27)24-15-4-9-18(19(22)12-15)21(25)23-20-11-13-2-3-14(20)10-13/h4-9,12-14,20,24H,2-3,10-11H2,1H3,(H,23,25)/t13?,14?,20-/m1/s1.
What are the key properties of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 434.95 g/mol, XLogP of 4.07, 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]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 132670341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).