4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid

C19H20ClNO4S — CID 3087370

IUPAC4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid
SMILESO=C(O)CCCc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H20ClNO4S/c20-16-6-8-18(9-7-16)26(24,25)21-17-11-14-5-4-13(10-15(14)12-17)2-1-3-19(22)23/h4-10,17,21H,1-3,11-12H2,(H,22,23)
InChIKeySYJTYZKWYGESQH-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.19
Rot. Bonds7

About 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid

4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid (PubChem CID 3087370) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid
PubChem CID3087370
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid
SMILESO=C(O)CCCc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H20ClNO4S/c20-16-6-8-18(9-7-16)26(24,25)21-17-11-14-5-4-13(10-15(14)12-17)2-1-3-19(22)23/h4-10,17,21H,1-3,11-12H2,(H,22,23)
InChIKeySYJTYZKWYGESQH-UHFFFAOYSA-N
XLogP3.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid?
The IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid (CID 3087370) is 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid?
The canonical SMILES for 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid is O=C(O)CCCc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid?
The InChIKey is SYJTYZKWYGESQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c20-16-6-8-18(9-7-16)26(24,25)21-17-11-14-5-4-13(10-15(14)12-17)2-1-3-19(22)23/h4-10,17,21H,1-3,11-12H2,(H,22,23).
What are the key properties of 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid?
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid has a molecular weight of 393.89 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]butanoic acid is sourced from PubChem (CID 3087370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).