(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate

C16H16ClNO4S — CID 7913012

IUPAC(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO4S/c17-14-8-6-13(7-9-14)12-22-16(19)10-11-18-23(20,21)15-4-2-1-3-5-15/h1-9,18H,10-12H2
InChIKeyUHDSBTWEMZXTMA-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.75
Rot. Bonds7

About (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate

(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate (PubChem CID 7913012) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
PubChem CID7913012
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO4S/c17-14-8-6-13(7-9-14)12-22-16(19)10-11-18-23(20,21)15-4-2-1-3-5-15/h1-9,18H,10-12H2
InChIKeyUHDSBTWEMZXTMA-UHFFFAOYSA-N
XLogP2.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
(4-methylsulfanylphenyl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738966
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 8574868
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18226800
benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
CID 172676297
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate?
The IUPAC name of (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate (CID 7913012) is (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate?
The canonical SMILES for (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate is O=C(CCNS(=O)(=O)c1ccccc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate?
The InChIKey is UHDSBTWEMZXTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c17-14-8-6-13(7-9-14)12-22-16(19)10-11-18-23(20,21)15-4-2-1-3-5-15/h1-9,18H,10-12H2.
What are the key properties of (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate?
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate has a molecular weight of 353.83 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 7913012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).