methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate

C16H17NO5S — CID 68527353

IUPACmethyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C16H17NO5S/c1-21-15-10-12(7-8-14(15)16(18)22-2)11-5-4-6-13(9-11)17-23(3,19)20/h4-10,17H,1-3H3
InChIKeyRHWKRTJBLARFPN-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.52
Rot. Bonds5

About methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate

methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate (PubChem CID 68527353) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
PubChem CID68527353
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C16H17NO5S/c1-21-15-10-12(7-8-14(15)16(18)22-2)11-5-4-6-13(9-11)17-23(3,19)20/h4-10,17H,1-3H3
InChIKeyRHWKRTJBLARFPN-UHFFFAOYSA-N
XLogP2.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide
CID 68525317
N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
CID 53221096
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide
CID 68511610
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 18077538
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
CID 25043144
methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate
CID 91623000
N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 4900524
methyl 3-[[2-chloro-4-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 99957500
methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 162157166

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate (CID 68527353) is methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate is COC(=O)c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1OC.
What is the InChIKey of methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate?
The InChIKey is RHWKRTJBLARFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-21-15-10-12(7-8-14(15)16(18)22-2)11-5-4-6-13(9-11)17-23(3,19)20/h4-10,17H,1-3H3.
What are the key properties of methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate?
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate has a molecular weight of 335.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate is sourced from PubChem (CID 68527353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).