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

C18H16F2N2O5S — CID 97259496

IUPAC(2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
SMILESNS(=O)(=O)c1cc(C(=O)N[C@@H](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)/t16-/m1/s1
InChIKeyYZRXIZCVFABKLA-MRXNPFEDSA-N
MW410.40 g/mol
LogP1.66
Rot. Bonds5

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

(2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid (PubChem CID 97259496) has the molecular formula C18H16F2N2O5S and a molecular weight of 410.40 g/mol. Its IUPAC name is (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
PubChem CID97259496
Molecular FormulaC18H16F2N2O5S
Molecular Weight410.40 g/mol
Exact Mass410.07
IUPAC Name(2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid
SMILESNS(=O)(=O)c1cc(C(=O)N[C@@H](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)/t16-/m1/s1
InChIKeyYZRXIZCVFABKLA-MRXNPFEDSA-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

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

2-[3-(Benzenesulfonamidomethyl)phenyl]-2-[(9-oxofluorene-4-carbonyl)amino]acetic acid
CID 168298236
2-[(9-Oxofluorene-4-carbonyl)amino]-2-[3-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]acetic acid
CID 168299628
2-[2-(3,4-difluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-[(9-oxofluorene-4-carbonyl)amino]acetic acid
CID 177752034
2-[2-(3-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-[(9-oxofluorene-4-carbonyl)amino]acetic acid
CID 177752046
2-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-[(9-oxofluorene-4-carbonyl)amino]acetic acid
CID 177752063
2-[2-(3,5-difluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-[(9-oxofluorene-4-carbonyl)amino]acetic acid
CID 177752067
2-[(9-oxofluorene-4-carbonyl)amino]-2-[2-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetic acid
CID 177752091
(2S)-3-(4-fluorophenyl)-2-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]benzoyl]amino]propanoic acid
CID 59941176
(2S)-3-(3-cyanophenyl)-2-[[4-(5-fluoro-2-sulfamoylphenyl)benzoyl]amino]propanoic acid
CID 69688550
3-(3-Cyanophenyl)-2-[[4-(5-fluoro-2-sulfamoylphenyl)benzoyl]amino]propanoic acid
CID 69688553
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55483283
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55502332

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid (CID 97259496) is (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid is NS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(F)c2)cc2c1CCC2.
What is the InChIKey of (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid?
The InChIKey is YZRXIZCVFABKLA-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid?
(2R)-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 (2R)-2-(3,4-difluorophenyl)-2-[(7-sulfamoyl-2,3-dihydro-1H-indene-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 97259496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).