2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid

C18H16F2N2O5S — CID 75445970

IUPAC2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
SMILESNS(=O)(=O)c1cc(C(=O)NC(C(=O)O)c2ccc(F)c(F)c2)cc2c1CCC2
InChIInChI=1S/C18H16F2N2O5S/c19-13-5-4-10(7-14(13)20)16(18(24)25)22-17(23)11-6-9-2-1-3-12(9)15(8-11)28(21,26)27/h4-8,16H,1-3H2,(H,22,23)(H,24,25)(H2,21,26,27)
InChIKeyYZRXIZCVFABKLA-UHFFFAOYSA-N
MW410.40 g/mol
LogP1.66
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid

2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid (PubChem CID 75445970) has the molecular formula C18H16F2N2O5S and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
PubChem CID75445970
Molecular FormulaC18H16F2N2O5S
Molecular Weight410.40 g/mol
Exact Mass410.07
IUPAC Name2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
SMILESNS(=O)(=O)c1cc(C(=O)NC(C(=O)O)c2ccc(F)c(F)c2)cc2c1CCC2
InChIInChI=1S/C18H16F2N2O5S/c19-13-5-4-10(7-14(13)20)16(18(24)25)22-17(23)11-6-9-2-1-3-12(9)15(8-11)28(21,26)27/h4-8,16H,1-3H2,(H,22,23)(H,24,25)(H2,21,26,27)
InChIKeyYZRXIZCVFABKLA-UHFFFAOYSA-N
XLogP1.66
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid (CID 75445970) is 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid is NS(=O)(=O)c1cc(C(=O)NC(C(=O)O)c2ccc(F)c(F)c2)cc2c1CCC2.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid?
The InChIKey is YZRXIZCVFABKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O5S/c19-13-5-4-10(7-14(13)20)16(18(24)25)22-17(23)11-6-9-2-1-3-12(9)15(8-11)28(21,26)27/h4-8,16H,1-3H2,(H,22,23)(H,24,25)(H2,21,26,27).
What are the key properties of 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid?
2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid has a molecular weight of 410.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 75445970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).