Basic information
- CAS
1368925-24-9- Standard SMILES
NS(=O)(=O)c1c[nH]c2ccccc12- InChIKey
AKSKDJAFNCAVPW-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2S
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.03064868
Names & identifiers
- Preferred name
- 1H-indole-3-sulfonamide
- IUPAC
- 1H-indole-3-sulfonamide
Names & synonyms
1H-indole-3-sulfonamide1368925-24-9RefChem:438740844-070-8indole-3-sulfonamideSCHEMBL32896SCHEMBL55133431H-indole-3-sulfonic acid amideAKSKDJAFNCAVPW-UHFFFAOYSA-NTEC92524MFCD21882128AKOS019066920
Show more names
EN300-254546G72572
Database identifiers
- CAS
1368925-24-9- PubChem CID
- 18960409
- EC Number
- 844-070-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
3 records
Compound notes
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