4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H16N2O4S2 — CID 79849708

IUPAC4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O4S2/c1-12(7-8-17(2,13)14)18(15,16)10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3
InChIKeyJFUXQODQDBVBLT-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.07
Rot. Bonds5

About 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 79849708) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID79849708
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O4S2/c1-12(7-8-17(2,13)14)18(15,16)10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3
InChIKeyJFUXQODQDBVBLT-UHFFFAOYSA-N
XLogP-0.07
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
2-amino-N-methyl-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 79864717
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422271
4-amino-N-methoxy-N-methylbenzenesulfonamide
CID 4962658
4-cyano-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106833221
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
5-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1H-pyrrole-3-sulfonamide
CID 79863901
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
5-(aminomethyl)-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrrole-3-sulfonamide
CID 79865256
4-amino-N,N-bis(2-nitrosoethyl)benzenesulfonamide
CID 88560919

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 79849708) is 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is JFUXQODQDBVBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-12(7-8-17(2,13)14)18(15,16)10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 292.38 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 79849708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).