4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide

C19H23NO3S — CID 753532

IUPAC4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)24(21,22)20-15-19(11-13-23-14-12-19)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3
InChIKeySSQYERRXUSEGNP-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.02
Rot. Bonds5

About 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide

4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 753532) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID753532
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)24(21,22)20-15-19(11-13-23-14-12-19)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3
InChIKeySSQYERRXUSEGNP-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-Isopropyl-4-p-tolyl-tetrahydro-pyran-4-yl)-ethyl]-4-methyl-benzenesulfonamide
CID 3831515
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]benzenesulfonamide
CID 2930343
N-[2-(4-Isopropyl-2,2-dimethyl-tetrahydro-pyran-4-yl)-ethyl]-4-methyl-benzenesulfonamide
CID 3610804
N-[2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-4-methylbenzenesulfonamide
CID 2951140
4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide
CID 56941568
4-(2-methylbutan-2-yl)-N-(3-propoxypropyl)benzenesulfonamide
CID 3773087
[1,1'-Biphenyl]-4-sulfonamide, N-(6-hydroxyhexyl)-
CID 16094718
N-((4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl)methyl)-3,4-dimethylbenzenesulfonamide
CID 27451454
N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 37557128
N-[2-(3-fluoro-5,5-dimethyloxan-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 177851398
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561173
2-methyl-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561175

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide (CID 753532) is 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is SSQYERRXUSEGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)24(21,22)20-15-19(11-13-23-14-12-19)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3.
What are the key properties of 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide?
4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 753532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).