N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide

C16H19NO3S — CID 110777258

IUPACN-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
SMILESCCc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-3-13-9-10-16(20-2)15(11-13)17-21(18,19)12-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3
InChIKeyXRYBOHDOCMMBNX-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.20
Rot. Bonds6

About N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide

N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide (PubChem CID 110777258) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
PubChem CID110777258
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
SMILESCCc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-3-13-9-10-16(20-2)15(11-13)17-21(18,19)12-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3
InChIKeyXRYBOHDOCMMBNX-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 110777323
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
CID 19684072
4-ethyl-N-(2-methoxy-5-propylphenyl)benzenesulfonamide
CID 142273724
N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 170149320
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)methanesulfonamide
CID 122323264

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide (CID 110777258) is N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide is CCc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide?
The InChIKey is XRYBOHDOCMMBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-13-9-10-16(20-2)15(11-13)17-21(18,19)12-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide?
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110777258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).