N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide

C20H21ClN2O3S — CID 2973945

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
SMILESO=C(NC1CC2CCC1C2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H21ClN2O3S/c21-17-9-8-15(20(24)22-18-11-13-6-7-14(18)10-13)12-19(17)27(25,26)23-16-4-2-1-3-5-16/h1-5,8-9,12-14,18,23H,6-7,10-11H2,(H,22,24)
InChIKeyCCSBNJLTBXZIMU-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.06
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide

N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide (PubChem CID 2973945) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
PubChem CID2973945
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
SMILESO=C(NC1CC2CCC1C2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H21ClN2O3S/c21-17-9-8-15(20(24)22-18-11-13-6-7-14(18)10-13)12-19(17)27(25,26)23-16-4-2-1-3-5-16/h1-5,8-9,12-14,18,23H,6-7,10-11H2,(H,22,24)
InChIKeyCCSBNJLTBXZIMU-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126411292
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6360251
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
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 21174681
4-chloro-N-(1-methylpiperidin-4-yl)-3-(phenylsulfamoyl)benzamide
CID 50875246
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 4216853
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-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 18555718
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203406
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide (CID 2973945) is N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide is O=C(NC1CC2CCC1C2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide?
The InChIKey is CCSBNJLTBXZIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c21-17-9-8-15(20(24)22-18-11-13-6-7-14(18)10-13)12-19(17)27(25,26)23-16-4-2-1-3-5-16/h1-5,8-9,12-14,18,23H,6-7,10-11H2,(H,22,24).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide has a molecular weight of 404.92 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 2973945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).