2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide

C11H16N2O4S2 — CID 62143938

IUPAC2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N
InChIInChI=1S/C11H16N2O4S2/c1-13(8-3-4-8)19(16,17)11-7-9(18(2,14)15)5-6-10(11)12/h5-8H,3-4,12H2,1-2H3
InChIKeyIEVIPAXHWPLFFU-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.46
Rot. Bonds4

About 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide

2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 62143938) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID62143938
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N
InChIInChI=1S/C11H16N2O4S2/c1-13(8-3-4-8)19(16,17)11-7-9(18(2,14)15)5-6-10(11)12/h5-8H,3-4,12H2,1-2H3
InChIKeyIEVIPAXHWPLFFU-UHFFFAOYSA-N
XLogP0.46
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.46
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

2-amino-N-(cyclopropylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62145505
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614
2-amino-5-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 54888604
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 79377506
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
CID 43264630
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
CID 47358758
2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
CID 62145782
N-(2-aminoethyl)-N-cyclopropyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 61350717
3-amino-N-cyclopropyl-N-methyl-2-nitrobenzenesulfonamide
CID 112675309
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide (CID 62143938) is 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide is CN(C1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N.
What is the InChIKey of 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is IEVIPAXHWPLFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-13(8-3-4-8)19(16,17)11-7-9(18(2,14)15)5-6-10(11)12/h5-8H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide?
2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 62143938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).