6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide

C14H17N3O3S — CID 80715128

IUPAC6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NC3CC4CCC3O4)c[nH]c2c1
InChIInChI=1S/C14H17N3O3S/c15-8-1-3-10-11(5-8)16-7-14(10)21(18,19)17-12-6-9-2-4-13(12)20-9/h1,3,5,7,9,12-13,16-17H,2,4,6,15H2
InChIKeyZYAJDHMLFCJPSQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.35
Rot. Bonds3

About 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide

6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide (PubChem CID 80715128) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide
PubChem CID80715128
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NC3CC4CCC3O4)c[nH]c2c1
InChIInChI=1S/C14H17N3O3S/c15-8-1-3-10-11(5-8)16-7-14(10)21(18,19)17-12-6-9-2-4-13(12)20-9/h1,3,5,7,9,12-13,16-17H,2,4,6,15H2
InChIKeyZYAJDHMLFCJPSQ-UHFFFAOYSA-N
XLogP1.35
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-1H-indole-3-sulfonamide
CID 132318439
(5S)-7-[(4-fluoro-1H-indol-3-yl)sulfonyl]-2-oxa-7-azaspiro[4.4]nonane
CID 164632826
4-(6-fluoro-1H-indol-3-yl)-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 126574728
4-(6-fluoro-1H-indol-3-yl)-N-[(3S)-oxolan-3-yl]benzenesulfonamide
CID 126574756
4-(6-fluoro-1H-indol-3-yl)-N-(oxolan-3-yl)benzenesulfonamide
CID 126584387
6-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-indole-3-sulfonamide
CID 105641579
6-amino-N-(3,3-difluoro-2-hydroxypropyl)-1H-indole-3-sulfonamide
CID 105641796
6-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-3-sulfonamide
CID 105905361
4-fluoro-N-[2-methoxy-1-(oxolan-2-yl)ethyl]-1H-indole-3-sulfonamide
CID 121578660
4-fluoro-N-[(1R)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide
CID 124888981
4-fluoro-N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide
CID 124888983
4-fluoro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-1H-indole-3-sulfonamide
CID 124888985

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide (CID 80715128) is 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide is Nc1ccc2c(S(=O)(=O)NC3CC4CCC3O4)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide?
The InChIKey is ZYAJDHMLFCJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-8-1-3-10-11(5-8)16-7-14(10)21(18,19)17-12-6-9-2-4-13(12)20-9/h1,3,5,7,9,12-13,16-17H,2,4,6,15H2.
What are the key properties of 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide?
6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 80715128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).