4-methoxy-2-propan-2-yloxybenzenesulfonamide

C10H15NO4S — CID 69224497

IUPAC4-methoxy-2-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(OC(C)C)c1
InChIInChI=1S/C10H15NO4S/c1-7(2)15-9-6-8(14-3)4-5-10(9)16(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyVRSXHJUDBWGKLF-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.13
Rot. Bonds4

About 4-methoxy-2-propan-2-yloxybenzenesulfonamide

4-methoxy-2-propan-2-yloxybenzenesulfonamide (PubChem CID 69224497) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-propan-2-yloxybenzenesulfonamide
PubChem CID69224497
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name4-methoxy-2-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(OC(C)C)c1
InChIInChI=1S/C10H15NO4S/c1-7(2)15-9-6-8(14-3)4-5-10(9)16(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKeyVRSXHJUDBWGKLF-UHFFFAOYSA-N
XLogP1.13
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-formyl-4-methoxybenzenesulfonamide
CID 102084002
2-cyclohexyloxy-4-methoxybenzenesulfonamide
CID 69224689
3-(4-methoxyphenyl)-2-nitro-4-propan-2-yloxybenzenesulfonamide
CID 70417045
2-(hydroxymethyl)-4-methoxybenzenesulfonamide
CID 67168933
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
2-isocyanato-4-methoxybenzenesulfonamide
CID 141019854
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
CID 141353715
2-(5,5-difluorohexan-2-yl)-4-methoxybenzenesulfonamide
CID 175914278
(2,5-dimethoxyphenyl) sulfamate
CID 56992916
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
CID 79904803

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-methoxy-2-propan-2-yloxybenzenesulfonamide (CID 69224497) is 4-methoxy-2-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-methoxy-2-propan-2-yloxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)c(OC(C)C)c1.
What is the InChIKey of 4-methoxy-2-propan-2-yloxybenzenesulfonamide?
The InChIKey is VRSXHJUDBWGKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-7(2)15-9-6-8(14-3)4-5-10(9)16(11,12)13/h4-7H,1-3H3,(H2,11,12,13).
What are the key properties of 4-methoxy-2-propan-2-yloxybenzenesulfonamide?
4-methoxy-2-propan-2-yloxybenzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 69224497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).