4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide

C16H17NO4S — CID 169372477

IUPAC4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OC3COC3)cc2)cc1
InChIInChI=1S/C16H17NO4S/c1-12-2-8-16(9-3-12)22(18,19)17-13-4-6-14(7-5-13)21-15-10-20-11-15/h2-9,15,17H,10-11H2,1H3
InChIKeyPIZITTUATYJZQR-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.57
Rot. Bonds5

About 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide

4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide (PubChem CID 169372477) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide
PubChem CID169372477
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OC3COC3)cc2)cc1
InChIInChI=1S/C16H17NO4S/c1-12-2-8-16(9-3-12)22(18,19)17-13-4-6-14(7-5-13)21-15-10-20-11-15/h2-9,15,17H,10-11H2,1H3
InChIKeyPIZITTUATYJZQR-UHFFFAOYSA-N
XLogP2.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 110637578
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-cyclopentyloxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098678
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
CID 110426256
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 70703505

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide (CID 169372477) is 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(OC3COC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide?
The InChIKey is PIZITTUATYJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12-2-8-16(9-3-12)22(18,19)17-13-4-6-14(7-5-13)21-15-10-20-11-15/h2-9,15,17H,10-11H2,1H3.
What are the key properties of 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide?
4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 169372477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).