4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide

C12H17NO4S — CID 110868839

IUPAC4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2)c(C)c1
InChIInChI=1S/C12H17NO4S/c1-9-7-11(16-2)3-4-12(9)18(14,15)13-10-5-6-17-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyZARZAQMPJUJVCA-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.07
Rot. Bonds4

About 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide

4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 110868839) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID110868839
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2)c(C)c1
InChIInChI=1S/C12H17NO4S/c1-9-7-11(16-2)3-4-12(9)18(14,15)13-10-5-6-17-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyZARZAQMPJUJVCA-UHFFFAOYSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 97255319
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
4-methoxy-3-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868838
5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80717243
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 167846855
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
4-methoxy-2-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
CID 97102029
4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
CID 97102028

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 110868839) is 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCOC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is ZARZAQMPJUJVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9-7-11(16-2)3-4-12(9)18(14,15)13-10-5-6-17-8-10/h3-4,7,10,13H,5-6,8H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide?
4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 110868839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).