1-Butanesulfonamide

HCID 18460CAS 3144-04-5

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCS(N)(=O)=O
InChIKey: OVIZSQRQYWEGON-UHFFFAOYSA-N
Molecular formula: C4H11NO2S
Average molar mass: 137.2 g/mol
Monoisotopic mass: 137.05104959

Names & identifiers

Preferred name: 1-Butanesulfonamide
IUPAC: butane-1-sulfonamide

Names & synonyms

butane-1-sulfonamide3144-04-51-BUTANESULFONAMIDEbutanesulfonamideButansulfamidButansulfamid [German]NSC 26772BRN 1749709DTXSID80185364RefChem:430840DTXCID90107855674-861-1

Show more names

N-ButylsulfonamideMFCD00465180934CE25MDCNSC-26772n-butylsulphonamide1-n-ButanesulfonamideSCHEMBL2825SCHEMBL2826

Database identifiers

CAS: 3144-04-5
PubChem CID: 18460
DTXSID: DTXSID80185364
UNII: 934CE25MDC
EC Number: 674-861-1
Nikkaji: J1.743.243E

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 133

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.