4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide

C20H21ClN2O3S — CID 125042197

IUPAC4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H21ClN2O3S/c21-17-12-15(20(24)22-19-11-13-6-7-14(19)10-13)8-9-18(17)23-27(25,26)16-4-2-1-3-5-16/h1-5,8-9,12-14,19,23H,6-7,10-11H2,(H,22,24)/t13-,14-,19-/m0/s1
InChIKeySXLSLCSDYSNVOS-NJSLBKSFSA-N
MW404.92 g/mol
LogP4.06
Rot. Bonds5

About 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide

4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide (PubChem CID 125042197) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
PubChem CID125042197
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H21ClN2O3S/c21-17-12-15(20(24)22-19-11-13-6-7-14(19)10-13)8-9-18(17)23-27(25,26)16-4-2-1-3-5-16/h1-5,8-9,12-14,19,23H,6-7,10-11H2,(H,22,24)/t13-,14-,19-/m0/s1
InChIKeySXLSLCSDYSNVOS-NJSLBKSFSA-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

Analyze 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide with MolForge

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Related Compounds

4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
CID 92685822
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
CID 2973945
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6360251
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
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-(methylsulfamoyl)benzamide
CID 100619770
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
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 21174681
N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide
CID 133178541

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide (CID 125042197) is 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide is O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide?
The InChIKey is SXLSLCSDYSNVOS-NJSLBKSFSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c21-17-12-15(20(24)22-19-11-13-6-7-14(19)10-13)8-9-18(17)23-27(25,26)16-4-2-1-3-5-16/h1-5,8-9,12-14,19,23H,6-7,10-11H2,(H,22,24)/t13-,14-,19-/m0/s1.
What are the key properties of 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide?
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide 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 4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide is sourced from PubChem (CID 125042197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).