6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C13H22N2O2S — CID 43258845

IUPAC6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C13H22N2O2S/c1-8(2)11(5)15-18(16,17)13-10(4)9(3)6-7-12(13)14/h6-8,11,15H,14H2,1-5H3
InChIKeyMHLOGCOUHZCVOU-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.21
Rot. Bonds4

About 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 43258845) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID43258845
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C13H22N2O2S/c1-8(2)11(5)15-18(16,17)13-10(4)9(3)6-7-12(13)14/h6-8,11,15H,14H2,1-5H3
InChIKeyMHLOGCOUHZCVOU-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106503730
6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864030
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 61476354
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
2-[(6-amino-2,3-dimethylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106560
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 66177998
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
3-amino-2,6-dimethyl-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64630177
3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 93081295

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 43258845) is 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NC(C)C(C)C)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is MHLOGCOUHZCVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-8(2)11(5)15-18(16,17)13-10(4)9(3)6-7-12(13)14/h6-8,11,15H,14H2,1-5H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43258845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).