N-{2-amino-4-[4-t-butyloxycarbonyl-homopiperazin-1-yl-]phenyl}benzenesulfonamide

HCID 22272452
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCN(c2ccc(NS(=O)(=O)c3ccccc3)c(N)c2)CC1
InChIKey
TVJFPAQTRHLXGO-UHFFFAOYSA-N
Molecular formula
C22H30N4O4S
Average molar mass
446.6 g/mol

Names & identifiers

Preferred name
N-{2-amino-4-[4-t-butyloxycarbonyl-homopiperazin-1-yl-]phenyl}benzenesulfonamide
IUPAC
tert-butyl 4-[3-amino-4-(benzenesulfonamido)phenyl]-1,4-diazepane-1-carboxylate

Names & synonyms

SCHEMBL3622976TVJFPAQTRHLXGO-UHFFFAOYSA-NN-{2-amino-4-[4-t-butyloxycarbonyl-homopiperazin-1-yl-]phenyl}benzenesulfonamide

Database identifiers

PubChem CID
22272452

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

Related reactions

5 records
New reaction record

Compound notes

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