N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide

C11H17NO4S2 — CID 86922498

IUPACN-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-9(2)8-12-18(15,16)11-7-5-4-6-10(11)17(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyAXQIZTFCPHSEIW-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.02
Rot. Bonds5

About N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide

N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide (PubChem CID 86922498) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
PubChem CID86922498
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC NameN-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-9(2)8-12-18(15,16)11-7-5-4-6-10(11)17(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyAXQIZTFCPHSEIW-UHFFFAOYSA-N
XLogP1.02
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide
CID 122150658
N-(2-methylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 47154529
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-[2-methyl-2-(1-phenylethylamino)propyl]-2-methylsulfonylbenzenesulfonamide
CID 56541430
2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide
CID 64596836
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-4-[(2-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 67213523
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylbenzenesulfonamide
CID 129056904
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532986

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide (CID 86922498) is N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide is CC(C)CNS(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide?
The InChIKey is AXQIZTFCPHSEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-9(2)8-12-18(15,16)11-7-5-4-6-10(11)17(3,13)14/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide?
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide has a molecular weight of 291.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 86922498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).