methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate

C12H15NO4S — CID 72543577

IUPACmethyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate
SMILESCC=Cc1ccc(NS(C)(=O)=O)cc1C(=O)OC
InChIInChI=1S/C12H15NO4S/c1-4-5-9-6-7-10(13-18(3,15)16)8-11(9)12(14)17-2/h4-8,13H,1-3H3
InChIKeyUYIULRHGOWDWNW-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.88
Rot. Bonds4

About methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate

methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate (PubChem CID 72543577) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate.

Molecular Properties

Compound Namemethyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate
PubChem CID72543577
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Namemethyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate
SMILESCC=Cc1ccc(NS(C)(=O)=O)cc1C(=O)OC
InChIInChI=1S/C12H15NO4S/c1-4-5-9-6-7-10(13-18(3,15)16)8-11(9)12(14)17-2/h4-8,13H,1-3H3
InChIKeyUYIULRHGOWDWNW-UHFFFAOYSA-N
XLogP1.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(E)-2-[3-tert-butyl-2-methoxy-5-(6-methyl-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-5-(methanesulfonamido)benzoate
CID 67287662
methyl 2-[(E)-2-[3-tert-butyl-2-methoxy-5-(6-methoxy-2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-5-(methanesulfonamido)benzoate
CID 67287587
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate
CID 154711170
methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776
N-[4-[(E)-prop-1-enyl]phenyl]methanesulfonamide
CID 59156553
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
methyl (E)-3-[5-(methanesulfonamido)-2-(methoxycarbonylamino)phenyl]prop-2-enoate
CID 177421457
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
2-amino-5-(methanesulfonamido)benzamide
CID 59583438

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate?
The IUPAC name of methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate (CID 72543577) is methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate.
What is the SMILES notation for methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate?
The canonical SMILES for methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate is CC=Cc1ccc(NS(C)(=O)=O)cc1C(=O)OC.
What is the InChIKey of methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate?
The InChIKey is UYIULRHGOWDWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-4-5-9-6-7-10(13-18(3,15)16)8-11(9)12(14)17-2/h4-8,13H,1-3H3.
What are the key properties of methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate?
methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate has a molecular weight of 269.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate is sourced from PubChem (CID 72543577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).