N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide

C20H20Cl2N2O3S — CID 133203412

IUPACN-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(N[C@@H]1CC2CCC1C2)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C20H20Cl2N2O3S/c21-14-3-6-16(7-4-14)28(26,27)24-15-5-8-18(22)17(11-15)20(25)23-19-10-12-1-2-13(19)9-12/h3-8,11-13,19,24H,1-2,9-10H2,(H,23,25)/t12?,13?,19-/m1/s1
InChIKeyQPZMZDWMJKSCGH-PNQRNNEWSA-N
MW439.36 g/mol
LogP4.71
Rot. Bonds5

About N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide

N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 133203412) has the molecular formula C20H20Cl2N2O3S and a molecular weight of 439.36 g/mol. Its IUPAC name is N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID133203412
Molecular FormulaC20H20Cl2N2O3S
Molecular Weight439.36 g/mol
Exact Mass438.06
IUPAC NameN-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(N[C@@H]1CC2CCC1C2)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C20H20Cl2N2O3S/c21-14-3-6-16(7-4-14)28(26,27)24-15-5-8-18(22)17(11-15)20(25)23-19-10-12-1-2-13(19)9-12/h3-8,11-13,19,24H,1-2,9-10H2,(H,23,25)/t12?,13?,19-/m1/s1
InChIKeyQPZMZDWMJKSCGH-PNQRNNEWSA-N
XLogP4.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132670341
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203505
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
CID 2973945
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203406
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
5-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide
CID 125043024

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide (CID 133203412) is N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(N[C@@H]1CC2CCC1C2)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is QPZMZDWMJKSCGH-PNQRNNEWSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3S/c21-14-3-6-16(7-4-14)28(26,27)24-15-5-8-18(22)17(11-15)20(25)23-19-10-12-1-2-13(19)9-12/h3-8,11-13,19,24H,1-2,9-10H2,(H,23,25)/t12?,13?,19-/m1/s1.
What are the key properties of N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide?
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 439.36 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 133203412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).