4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide

C12H20N2O4S — CID 82901458

IUPAC4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(OCCOC(C)C)c1
InChIInChI=1S/C12H20N2O4S/c1-9(2)17-6-7-18-12-8-10(4-5-11(12)13)19(15,16)14-3/h4-5,8-9,14H,6-7,13H2,1-3H3
InChIKeyKYSFROHVSOYIQW-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.98
Rot. Bonds7

About 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide

4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide (PubChem CID 82901458) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
PubChem CID82901458
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(OCCOC(C)C)c1
InChIInChI=1S/C12H20N2O4S/c1-9(2)17-6-7-18-12-8-10(4-5-11(12)13)19(15,16)14-3/h4-5,8-9,14H,6-7,13H2,1-3H3
InChIKeyKYSFROHVSOYIQW-UHFFFAOYSA-N
XLogP0.98
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.98
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

4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide
CID 106446796
4-[4-amino-3-(2-propan-2-yloxyethoxy)phenyl]-2-(2-propan-2-yloxyethoxy)aniline
CID 139768521
5-methylsulfonyl-2-(2-propan-2-yloxyethoxy)aniline
CID 43382647
4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
CID 82900892
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
3-amino-N-methyl-4-(2-propoxyethoxy)benzenesulfonamide
CID 55234253
4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
CID 82901614
4-amino-3-[(2S)-butan-2-yl]-N-methylbenzenesulfonamide
CID 163446089
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide (CID 82901458) is 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(OCCOC(C)C)c1.
What is the InChIKey of 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The InChIKey is KYSFROHVSOYIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-9(2)17-6-7-18-12-8-10(4-5-11(12)13)19(15,16)14-3/h4-5,8-9,14H,6-7,13H2,1-3H3.
What are the key properties of 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide?
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide is sourced from PubChem (CID 82901458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).