2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide

C16H17ClN2O4S — CID 2933399

IUPAC2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-11(23-14-4-2-3-13(17)9-14)16(20)19-10-12-5-7-15(8-6-12)24(18,21)22/h2-9,11H,10H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyGYTACEPINJKYFD-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide

2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 2933399) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID2933399
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-11(23-14-4-2-3-13(17)9-14)16(20)19-10-12-5-7-15(8-6-12)24(18,21)22/h2-9,11H,10H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyGYTACEPINJKYFD-UHFFFAOYSA-N
XLogP2.07
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 2933399) is 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is GYTACEPINJKYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-11(23-14-4-2-3-13(17)9-14)16(20)19-10-12-5-7-15(8-6-12)24(18,21)22/h2-9,11H,10H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 368.84 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 2933399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).