5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide

C10H16N2O3S — CID 79904803

IUPAC5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
SMILESCc1c(OC(C)C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-6(2)15-9-4-8(11)5-10(7(9)3)16(12,13)14/h4-6H,11H2,1-3H3,(H2,12,13,14)
InChIKeyOHTILLDHVDIUEW-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.01
Rot. Bonds3

About 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide

5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide (PubChem CID 79904803) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
PubChem CID79904803
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
SMILESCc1c(OC(C)C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-6(2)15-9-4-8(11)5-10(7(9)3)16(12,13)14/h4-6H,11H2,1-3H3,(H2,12,13,14)
InChIKeyOHTILLDHVDIUEW-UHFFFAOYSA-N
XLogP1.01
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

n-(3-Methoxy-4-methylphenyl)benzenesulfonamide
CID 248885
N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3681504
N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 71013497
3-Amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide
CID 134588343
3-Amino-5-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 134588566
3-Amino-5-[(2-fluoro-4-methylphenyl)methoxy]benzenesulfonamide
CID 134590196
3-Amino-5-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 134594556
4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169204679
N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 849208
N-(7,8-dihydro-6H-xanthen-3-yl)benzenesulfonamide
CID 86188663
4-amino-N-(2h-chromen-7-yl)benzenesulfonamide
CID 132471962
4-amino-N-(4h-chromen-7-yl)benzenesulfonamide
CID 132472041

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide (CID 79904803) is 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide is Cc1c(OC(C)C)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide?
The InChIKey is OHTILLDHVDIUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-6(2)15-9-4-8(11)5-10(7(9)3)16(12,13)14/h4-6H,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide?
5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 79904803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).