5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide

C13H22N2O2S — CID 43271659

IUPAC5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)CC(C)C)c1C
InChIInChI=1S/C13H22N2O2S/c1-9(2)8-15(5)18(16,17)13-7-12(14)6-10(3)11(13)4/h6-7,9H,8,14H2,1-5H3
InChIKeyOLZSTKSZHPDCNL-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.16
Rot. Bonds4

About 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide

5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43271659) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43271659
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)CC(C)C)c1C
InChIInChI=1S/C13H22N2O2S/c1-9(2)8-15(5)18(16,17)13-7-12(14)6-10(3)11(13)4/h6-7,9H,8,14H2,1-5H3
InChIKeyOLZSTKSZHPDCNL-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 79974880
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
CID 43264630
5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
CID 28551352
4-amino-2,6-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 79588513
5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112413
5-amino-N,2,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63842918
3-bromo-4-methyl-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 81488672
3-methyl-4-[methyl(2-methylpropyl)sulfamoyl]benzenecarbothioamide
CID 106997699
methyl 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 61106640

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide (CID 43271659) is 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(C)CC(C)C)c1C.
What is the InChIKey of 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is OLZSTKSZHPDCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)8-15(5)18(16,17)13-7-12(14)6-10(3)11(13)4/h6-7,9H,8,14H2,1-5H3.
What are the key properties of 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide?
5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43271659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).