[3-(methanesulfonamido)phenyl] propanoate

C10H13NO4S — CID 154228160

IUPAC[3-(methanesulfonamido)phenyl] propanoate
SMILESCCC(=O)Oc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C10H13NO4S/c1-3-10(12)15-9-6-4-5-8(7-9)11-16(2,13)14/h4-7,11H,3H2,1-2H3
InChIKeyCEIMETCBDWTWIT-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.37
Rot. Bonds4

About [3-(methanesulfonamido)phenyl] propanoate

[3-(methanesulfonamido)phenyl] propanoate (PubChem CID 154228160) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is [3-(methanesulfonamido)phenyl] propanoate.

Molecular Properties

Compound Name[3-(methanesulfonamido)phenyl] propanoate
PubChem CID154228160
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name[3-(methanesulfonamido)phenyl] propanoate
SMILESCCC(=O)Oc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C10H13NO4S/c1-3-10(12)15-9-6-4-5-8(7-9)11-16(2,13)14/h4-7,11H,3H2,1-2H3
InChIKeyCEIMETCBDWTWIT-UHFFFAOYSA-N
XLogP1.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-(methanesulfonamido)phenyl] propanoate 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

ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
(3,4-dihydroxyphenyl) propanoate;methanesulfonic acid
CID 159183845
N-[3-(4-methoxyphenoxy)phenyl]methanesulfonamide
CID 22168206
[3-[(3,4-dichlorobenzoyl)amino]phenyl] propanoate
CID 17341925
bis[3-[(3-methylsulfonyloxyphenyl)carbamoylamino]phenyl] butanedioate
CID 155659611
phenyl propanoate
CID 161258381
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
[3-(aminomethyl)phenyl] propanoate
CID 174426533
[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate
CID 17342012
ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
CID 69351950
CID 161494205
CID 161494205
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876

Frequently Asked Questions

What is the IUPAC name of [3-(methanesulfonamido)phenyl] propanoate?
The IUPAC name of [3-(methanesulfonamido)phenyl] propanoate (CID 154228160) is [3-(methanesulfonamido)phenyl] propanoate.
What is the SMILES notation for [3-(methanesulfonamido)phenyl] propanoate?
The canonical SMILES for [3-(methanesulfonamido)phenyl] propanoate is CCC(=O)Oc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of [3-(methanesulfonamido)phenyl] propanoate?
The InChIKey is CEIMETCBDWTWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-3-10(12)15-9-6-4-5-8(7-9)11-16(2,13)14/h4-7,11H,3H2,1-2H3.
What are the key properties of [3-(methanesulfonamido)phenyl] propanoate?
[3-(methanesulfonamido)phenyl] propanoate has a molecular weight of 243.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methanesulfonamido)phenyl] propanoate is sourced from PubChem (CID 154228160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).