5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide

C12H20N2O4S — CID 79904731

IUPAC5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
SMILESCc1c(OCCOC(C)C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-8(2)17-4-5-18-11-6-10(13)7-12(9(11)3)19(14,15)16/h6-8H,4-5,13H2,1-3H3,(H2,14,15,16)
InChIKeyZQQLZMLVMCEFTJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.03
Rot. Bonds6

About 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide

5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide (PubChem CID 79904731) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
PubChem CID79904731
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
SMILESCc1c(OCCOC(C)C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O4S/c1-8(2)17-4-5-18-11-6-10(13)7-12(9(11)3)19(14,15)16/h6-8H,4-5,13H2,1-3H3,(H2,14,15,16)
InChIKeyZQQLZMLVMCEFTJ-UHFFFAOYSA-N
XLogP1.03
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
CID 104559989
5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
CID 79904803
5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide
CID 79904949
5-methylsulfonyl-2-(2-propan-2-yloxyethoxy)aniline
CID 43382647
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 61485134
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
CID 79896823
4-chloro-2-(3-propan-2-yloxypropoxy)benzenesulfonamide
CID 125419523
5-amino-3-(3-ethylpentan-2-ylamino)-2-methylbenzenesulfonamide
CID 79897192
5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801
5-amino-3-hydroxy-2-methylbenzenesulfonamide
CID 79904666
3-butoxy-4-methyl-5-sulfamoylbenzoic acid
CID 119091613
5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide
CID 79896553

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide (CID 79904731) is 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide is Cc1c(OCCOC(C)C)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The InChIKey is ZQQLZMLVMCEFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-8(2)17-4-5-18-11-6-10(13)7-12(9(11)3)19(14,15)16/h6-8H,4-5,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide?
5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide is sourced from PubChem (CID 79904731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).