N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide

C12H21N3O4S2 — CID 119975856

IUPACN-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H21N3O4S2/c1-12(2,10-13)15-20(16,17)9-8-14-21(18,19)11-6-4-3-5-7-11/h3-7,14-15H,8-10,13H2,1-2H3
InChIKeyZOPIJFNKQJDTJJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP-0.38
Rot. Bonds8

About N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide

N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide (PubChem CID 119975856) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
PubChem CID119975856
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC NameN-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H21N3O4S2/c1-12(2,10-13)15-20(16,17)9-8-14-21(18,19)11-6-4-3-5-7-11/h3-7,14-15H,8-10,13H2,1-2H3
InChIKeyZOPIJFNKQJDTJJ-UHFFFAOYSA-N
XLogP-0.38
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
CID 119990180
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[3-(aminomethyl)-3-ethylpentyl]benzenesulfonamide
CID 173233939
N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 47364182
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(1-amino-2-methylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834751
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(2-iodoethyl)benzenesulfonamide
CID 68718657

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide (CID 119975856) is N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide is CC(C)(CN)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide?
The InChIKey is ZOPIJFNKQJDTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-12(2,10-13)15-20(16,17)9-8-14-21(18,19)11-6-4-3-5-7-11/h3-7,14-15H,8-10,13H2,1-2H3.
What are the key properties of N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide?
N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of -0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 119975856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).