3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide

C11H18N2O4S2 — CID 79551722

IUPAC3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1cccc(N)c1)S(C)(=O)=O
InChIInChI=1S/C11H18N2O4S2/c1-11(2,18(3,14)15)8-13-19(16,17)10-6-4-5-9(12)7-10/h4-7,13H,8,12H2,1-3H3
InChIKeyWRZZKAQSSYRRCI-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.37
Rot. Bonds5

About 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide

3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide (PubChem CID 79551722) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
PubChem CID79551722
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
SMILESCC(C)(CNS(=O)(=O)c1cccc(N)c1)S(C)(=O)=O
InChIInChI=1S/C11H18N2O4S2/c1-11(2,18(3,14)15)8-13-19(16,17)10-6-4-5-9(12)7-10/h4-7,13H,8,12H2,1-3H3
InChIKeyWRZZKAQSSYRRCI-UHFFFAOYSA-N
XLogP0.37
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79552160
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437
4-[(3-aminophenyl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 122126369
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498666
2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551282
tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]benzoic acid
CID 136549038
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79556754
3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79556235

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide (CID 79551722) is 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide is CC(C)(CNS(=O)(=O)c1cccc(N)c1)S(C)(=O)=O.
What is the InChIKey of 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The InChIKey is WRZZKAQSSYRRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-11(2,18(3,14)15)8-13-19(16,17)10-6-4-5-9(12)7-10/h4-7,13H,8,12H2,1-3H3.
What are the key properties of 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide is sourced from PubChem (CID 79551722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).