N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide

C17H19NO2S — CID 7333463

IUPACN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2S/c19-21(20,18-17-10-12-5-6-15(17)9-12)16-8-7-13-3-1-2-4-14(13)11-16/h1-4,7-8,11-12,15,17-18H,5-6,9-10H2/t12-,15-,17+/m0/s1
InChIKeyRNANYCHSCPDIBJ-YLQAJVPDSA-N
MW301.41 g/mol
LogP3.31
Rot. Bonds3

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

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide (PubChem CID 7333463) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide
PubChem CID7333463
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2S/c19-21(20,18-17-10-12-5-6-15(17)9-12)16-8-7-13-3-1-2-4-14(13)11-16/h1-4,7-8,11-12,15,17-18H,5-6,9-10H2/t12-,15-,17+/m0/s1
InChIKeyRNANYCHSCPDIBJ-YLQAJVPDSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-nitrobenzenesulfonamide
CID 11905784
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 6551053
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzenesulfonamide
CID 7462489
N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
CID 4297774
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 7480344
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 6553841

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide (CID 7333463) is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide is O=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide?
The InChIKey is RNANYCHSCPDIBJ-YLQAJVPDSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-21(20,18-17-10-12-5-6-15(17)9-12)16-8-7-13-3-1-2-4-14(13)11-16/h1-4,7-8,11-12,15,17-18H,5-6,9-10H2/t12-,15-,17+/m0/s1.
What are the key properties of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide?
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 3.31, 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 7333463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).