N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide

C20H19NO3S — CID 59313651

IUPACN-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c1-15-14-17(21-25(2,22)23)10-13-20(15)16-8-11-19(12-9-16)24-18-6-4-3-5-7-18/h3-14,21H,1-2H3
InChIKeyRUHAKAZZMOIMAP-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.83
Rot. Bonds5

About N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide

N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide (PubChem CID 59313651) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide
PubChem CID59313651
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H19NO3S/c1-15-14-17(21-25(2,22)23)10-13-20(15)16-8-11-19(12-9-16)24-18-6-4-3-5-7-18/h3-14,21H,1-2H3
InChIKeyRUHAKAZZMOIMAP-UHFFFAOYSA-N
XLogP4.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{3-[(1z)-1-(10-Methoxydibenzo[b,E]oxepin-11(6h)-Ylidene)propyl]phenyl}methanesulfonamide
CID 72710581
N-[3-[(1E)-1-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]phenyl]methanesulfonamide
CID 9978625
N-[3-[(1E)-1-(6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]phenyl]methanesulfonamide
CID 24851053
N-(1-Methoxy-6-pentyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10110007
N-[1-Methoxy-6-(4-phenoxy-phenyl)-6H-benzo[c]chromen-8-yl]-methanesulfonamide
CID 10162430
N-(1-Hydroxymethyl-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10177869
N-(1-Methoxy-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10271193
N-[4'-(trifluoromethoxy)-4-biphenylyl]methanesulfonamide
CID 11348100
6-Ethoxynaphthalen-2-amine
CID 44119485
1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)vinyl]-2-naphthyl]methanesulfonamide
CID 6479596
N-(1-Ethoxy-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10157532
N-(1-Methoxy-6-p-tolyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 10222329

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide (CID 59313651) is N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide?
The InChIKey is RUHAKAZZMOIMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-15-14-17(21-25(2,22)23)10-13-20(15)16-8-11-19(12-9-16)24-18-6-4-3-5-7-18/h3-14,21H,1-2H3.
What are the key properties of N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide?
N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-phenoxyphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 59313651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).