N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide

C13H15Cl2NO2S — CID 6980060

IUPACN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO2S/c14-10-3-4-11(15)13(7-10)19(17,18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,16H,1-2,5-6H2/t8-,9-,12+/m0/s1
InChIKeyNHZWBGHCVRQSOL-HOTUBEGUSA-N
MW320.24 g/mol
LogP3.46
Rot. Bonds3

About N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 6980060) has the molecular formula C13H15Cl2NO2S and a molecular weight of 320.24 g/mol. Its IUPAC name is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
PubChem CID6980060
Molecular FormulaC13H15Cl2NO2S
Molecular Weight320.24 g/mol
Exact Mass319.02
IUPAC NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO2S/c14-10-3-4-11(15)13(7-10)19(17,18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,16H,1-2,5-6H2/t8-,9-,12+/m0/s1
InChIKeyNHZWBGHCVRQSOL-HOTUBEGUSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704497
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989444
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
CID 106367511
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)methanesulfonamide
CID 98442845
2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid
CID 11612292
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-nitrobenzenesulfonamide
CID 6547002
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide (CID 6980060) is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide is O=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is NHZWBGHCVRQSOL-HOTUBEGUSA-N. The full InChI is InChI=1S/C13H15Cl2NO2S/c14-10-3-4-11(15)13(7-10)19(17,18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,16H,1-2,5-6H2/t8-,9-,12+/m0/s1.
What are the key properties of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide?
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 320.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 6980060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).