2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid

C21H22N2O9S2 — CID 3110544

IUPAC2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(CC)C(=O)O)ccc1-2)C(=O)O
InChIInChI=1S/C21H22N2O9S2/c1-3-17(20(25)26)22-33(29,30)11-5-7-13-14-8-6-12(10-16(14)19(24)15(13)9-11)34(31,32)23-18(4-2)21(27)28/h5-10,17-18,22-23H,3-4H2,1-2H3,(H,25,26)(H,27,28)
InChIKeySIKHNQGLVRNUCB-UHFFFAOYSA-N
MW510.55 g/mol
LogP1.18
Rot. Bonds10

About 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid

2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid (PubChem CID 3110544) has the molecular formula C21H22N2O9S2 and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
PubChem CID3110544
Molecular FormulaC21H22N2O9S2
Molecular Weight510.55 g/mol
Exact Mass510.08
IUPAC Name2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(CC)C(=O)O)ccc1-2)C(=O)O
InChIInChI=1S/C21H22N2O9S2/c1-3-17(20(25)26)22-33(29,30)11-5-7-13-14-8-6-12(10-16(14)19(24)15(13)9-11)34(31,32)23-18(4-2)21(27)28/h5-10,17-18,22-23H,3-4H2,1-2H3,(H,25,26)(H,27,28)
InChIKeySIKHNQGLVRNUCB-UHFFFAOYSA-N
XLogP1.18
TPSA184.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid with MolForge

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Related Compounds

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
CID 43405402
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
CID 82843747
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047
2-[[4-(acetamidomethyl)phenyl]sulfonylamino]butanoic acid
CID 43386785
(2R)-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 100820384

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid?
The IUPAC name of 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid (CID 3110544) is 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid?
The canonical SMILES for 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(CC)C(=O)O)ccc1-2)C(=O)O.
What is the InChIKey of 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid?
The InChIKey is SIKHNQGLVRNUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O9S2/c1-3-17(20(25)26)22-33(29,30)11-5-7-13-14-8-6-12(10-16(14)19(24)15(13)9-11)34(31,32)23-18(4-2)21(27)28/h5-10,17-18,22-23H,3-4H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid?
2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid has a molecular weight of 510.55 g/mol, XLogP of 1.18, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid is sourced from PubChem (CID 3110544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).