N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide

C14H20N2O2S — CID 61310120

IUPACN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-13-4-2-3-12(9-13)15-14-8-10-5-6-11(14)7-10/h2-4,9-11,14-16H,5-8H2,1H3
InChIKeySLQYTRUCWJECGF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.66
Rot. Bonds4

About N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide

N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide (PubChem CID 61310120) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
PubChem CID61310120
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-13-4-2-3-12(9-13)15-14-8-10-5-6-11(14)7-10/h2-4,9-11,14-16H,5-8H2,1H3
InChIKeySLQYTRUCWJECGF-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
CID 61309519
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64776794
N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
CID 102671165
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
CID 61309353
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
(1S,2R,4S)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124824450
(1S,2S,4S)-N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750484
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide (CID 61310120) is N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NC2CC3CCC2C3)c1.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide?
The InChIKey is SLQYTRUCWJECGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19(17,18)16-13-4-2-3-12(9-13)15-14-8-10-5-6-11(14)7-10/h2-4,9-11,14-16H,5-8H2,1H3.
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide?
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 61310120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).