methyl 2-[N-(benzenesulfonyl)anilino]acetate

C15H15NO4S — CID 690082

IUPACmethyl 2-[N-(benzenesulfonyl)anilino]acetate
SMILESCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-20-15(17)12-16(13-8-4-2-5-9-13)21(18,19)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyRREBSMVTYUWGKF-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.05
Rot. Bonds5

About methyl 2-[N-(benzenesulfonyl)anilino]acetate

methyl 2-[N-(benzenesulfonyl)anilino]acetate (PubChem CID 690082) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-[N-(benzenesulfonyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[N-(benzenesulfonyl)anilino]acetate
PubChem CID690082
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 2-[N-(benzenesulfonyl)anilino]acetate
SMILESCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-20-15(17)12-16(13-8-4-2-5-9-13)21(18,19)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyRREBSMVTYUWGKF-UHFFFAOYSA-N
XLogP2.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl N-(3-methylphenyl)-N-(phenylsulfonyl)glycinate
CID 875707
Benzenesulfonamide, N-(2-oxiranylmethyl)-N-phenyl-
CID 190056
methyl N-(4-fluorophenyl)-N-(phenylsulfonyl)glycinate
CID 805815
N-(2-fluorophenyl)-N-(phenylsulfonyl)glycine
CID 846816
Dimethyl 2-(4-sulfamoylanilino)propanedioate
CID 164624447
Methyl 2-[4-(4-aminophenyl)sulfonylanilino]acetate
CID 296066
2-(N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 362728
2-(N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 362730
Methyl N-(2-fluorophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate
CID 807915
Methyl N-(2-fluorophenyl)-N-(phenylsulfonyl)glycinate
CID 846475
2-(N-(3-nitrophenyl)sulfonylanilino)acetic acid
CID 362729
N-(2-chlorophenyl)-N-(phenylsulfonyl)glycine
CID 362735

Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-(benzenesulfonyl)anilino]acetate?
The IUPAC name of methyl 2-[N-(benzenesulfonyl)anilino]acetate (CID 690082) is methyl 2-[N-(benzenesulfonyl)anilino]acetate.
What is the SMILES notation for methyl 2-[N-(benzenesulfonyl)anilino]acetate?
The canonical SMILES for methyl 2-[N-(benzenesulfonyl)anilino]acetate is COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-[N-(benzenesulfonyl)anilino]acetate?
The InChIKey is RREBSMVTYUWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-15(17)12-16(13-8-4-2-5-9-13)21(18,19)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of methyl 2-[N-(benzenesulfonyl)anilino]acetate?
methyl 2-[N-(benzenesulfonyl)anilino]acetate has a molecular weight of 305.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-(benzenesulfonyl)anilino]acetate is sourced from PubChem (CID 690082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).