N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide

C14H17N3O3S — CID 124779535

IUPACN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2nonc12
InChIInChI=1S/C14H17N3O3S/c18-21(19,13-3-1-2-12-14(13)17-20-16-12)15-8-11-7-9-4-5-10(11)6-9/h1-3,9-11,15H,4-8H2/t9-,10-,11+/m0/s1
InChIKeyNLAJPHBFAXTDAQ-GARJFASQSA-N
MW307.38 g/mol
LogP1.94
Rot. Bonds4

About N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 124779535) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID124779535
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2nonc12
InChIInChI=1S/C14H17N3O3S/c18-21(19,13-3-1-2-12-14(13)17-20-16-12)15-8-11-7-9-4-5-10(11)6-9/h1-3,9-11,15H,4-8H2/t9-,10-,11+/m0/s1
InChIKeyNLAJPHBFAXTDAQ-GARJFASQSA-N
XLogP1.94
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide with MolForge

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Related Compounds

N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444
N-octyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 19681346
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
CID 63689393
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 63689593
4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)butanoate
CID 4105183
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 17377916
N-[(4-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 19680703
N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
CID 84591138
N-[(3S)-1,1-dioxothiolan-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 7189339

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 124779535) is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(NC[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2nonc12.
What is the InChIKey of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is NLAJPHBFAXTDAQ-GARJFASQSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-21(19,13-3-1-2-12-14(13)17-20-16-12)15-8-11-7-9-4-5-10(11)6-9/h1-3,9-11,15H,4-8H2/t9-,10-,11+/m0/s1.
What are the key properties of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 124779535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).