2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid

C17H15FN2O4S — CID 3157173

IUPAC2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4S/c18-12-5-7-13(8-6-12)25(23,24)20-16(17(21)22)9-11-10-19-15-4-2-1-3-14(11)15/h1-8,10,16,19-20H,9H2,(H,21,22)
InChIKeyLEMVXFLDSISVNM-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.28
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid

2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 3157173) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID3157173
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4S/c18-12-5-7-13(8-6-12)25(23,24)20-16(17(21)22)9-11-10-19-15-4-2-1-3-14(11)15/h1-8,10,16,19-20H,9H2,(H,21,22)
InChIKeyLEMVXFLDSISVNM-UHFFFAOYSA-N
XLogP2.28
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid (CID 3157173) is 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid is O=C(O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is LEMVXFLDSISVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c18-12-5-7-13(8-6-12)25(23,24)20-16(17(21)22)9-11-10-19-15-4-2-1-3-14(11)15/h1-8,10,16,19-20H,9H2,(H,21,22).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid?
2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 362.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 3157173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).