N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide

C14H18FNO2S — CID 100690195

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18FNO2S/c1-9-6-12(15)4-5-14(9)19(17,18)16-13-8-10-2-3-11(13)7-10/h4-6,10-11,13,16H,2-3,7-8H2,1H3/t10-,11-,13-/m1/s1
InChIKeyLHHMSPBRKSTUCI-NQBHXWOUSA-N
MW283.37 g/mol
LogP2.60
Rot. Bonds3

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 100690195) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID100690195
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18FNO2S/c1-9-6-12(15)4-5-14(9)19(17,18)16-13-8-10-2-3-11(13)7-10/h4-6,10-11,13,16H,2-3,7-8H2,1H3/t10-,11-,13-/m1/s1
InChIKeyLHHMSPBRKSTUCI-NQBHXWOUSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 95196113
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 125054327
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-2,4-dimethylbenzenesulfonamide
CID 106067743
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
CID 11896359
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 125057999
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133200353
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide (CID 100690195) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is LHHMSPBRKSTUCI-NQBHXWOUSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-9-6-12(15)4-5-14(9)19(17,18)16-13-8-10-2-3-11(13)7-10/h4-6,10-11,13,16H,2-3,7-8H2,1H3/t10-,11-,13-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 100690195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).