HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

N-tert-Butyl 4-Nitrophenylsulfonamide

HCID 796974
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
YVSUQTZCHSBFEN-UHFFFAOYSA-N
Molecular formula
C10H14N2O4S
Average molar mass
258.3 g/mol

Names & identifiers

Preferred name
N-tert-Butyl 4-Nitrophenylsulfonamide
IUPAC
N-tert-butyl-4-nitrobenzenesulfonamide

Names & synonyms

N-tert-Butyl 4-Nitrophenylsulfonamide49690-09-7N-tert-butyl-4-nitrobenzenesulfonamideMFCD00443679N-(tert-Butyl)-4-nitrobenzenesulfonamideBenzenesulfonamide, N-(1,1-dimethylethyl)-4-nitro-N-tert-Butyl4-NitrophenylsulfonamideN-tert-Butyl-4-nitro-benzenesulfonamideOprea1_185359Oprea1_437719CBDivE_002315SCHEMBL3046201
Show more names
YVSUQTZCHSBFEN-UHFFFAOYSA-NZBA69009STK0593564-nitro-N-tert-butylbenzenesulfonamideAKOS000668469AS-31583SY002203N-tert-butyl-4-nitrobenzene-1-sulfonamide

Database identifiers

PubChem CID
796974

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
367

Related reactions

6 records
New reaction record
HRID 446152 reaction equation
HRID 446152As productuspto-grants-2013_07
HRID 446153 reaction equation
HRID 446153As reactantuspto-grants-2013_07
HRID 898748 reaction equation
HRID 898748As productuspto-grants-2008_04
HRID 898749 reaction equation
HRID 898749As reactantuspto-grants-2008_04
HRID 959503 reaction equation
HRID 959503As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1120933 reaction equation
HRID 1120933As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes