sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate

C18H17ClNNaO4S — CID 23669776

IUPACsodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate
SMILESO=C([O-])Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2.[Na+]
InChIInChI=1S/C18H18ClNO4S.Na/c19-16-3-5-17(6-4-16)25(23,24)20-11-13-8-14-2-1-12(10-18(21)22)7-15(14)9-13;/h1-7,13,20H,8-11H2,(H,21,22);/q;+1/p-1
InChIKeyUEPBEZPJELQKJV-UHFFFAOYSA-M
MW401.85 g/mol
LogP-1.67
Rot. Bonds6

About sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate

sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate (PubChem CID 23669776) has the molecular formula C18H17ClNNaO4S and a molecular weight of 401.85 g/mol. Its IUPAC name is sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate.

Molecular Properties

Compound Namesodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate
PubChem CID23669776
Molecular FormulaC18H17ClNNaO4S
Molecular Weight401.85 g/mol
Exact Mass401.05
IUPAC Namesodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate
SMILESO=C([O-])Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2.[Na+]
InChIInChI=1S/C18H18ClNO4S.Na/c19-16-3-5-17(6-4-16)25(23,24)20-11-13-8-14-2-1-12(10-18(21)22)7-15(14)9-13;/h1-7,13,20H,8-11H2,(H,21,22);/q;+1/p-1
InChIKeyUEPBEZPJELQKJV-UHFFFAOYSA-M
XLogP-1.67
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Daltroban
CID 54343
1H-Indene-5-butanoic acid, 2,3-dihydro-2-(((4-chlorophenyl)sulfonyl)amino)-gamma-oxo-
CID 3087365
1H-Indene-5-butanoic acid, 2,3-dihydro-2-(((4-chlorophenyl)sulfonyl)amino)-
CID 3087370
Terutroban sodium
CID 23674098
sodium 4-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]butanoate
CID 23679440
sodium 2-[3-[(4-chlorophenyl)sulfonylamino]propyl]-2,3-dihydro-1H-indene-5-carboxylate
CID 44353026
sodium 2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetate
CID 44353042
sodium 2-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxylate
CID 44353043
sodium 3-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]propanoate
CID 44353167
sodium 2-[2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2,3-dihydro-1H-inden-5-yl]acetate
CID 44353185
sodium 2-[2-(benzenesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]acetate
CID 44353186
sodium 2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-indene-5-carboxylate
CID 44353282

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate?
The IUPAC name of sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate (CID 23669776) is sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate.
What is the SMILES notation for sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate?
The canonical SMILES for sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate is O=C([O-])Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2.[Na+].
What is the InChIKey of sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate?
The InChIKey is UEPBEZPJELQKJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18ClNO4S.Na/c19-16-3-5-17(6-4-16)25(23,24)20-11-13-8-14-2-1-12(10-18(21)22)7-15(14)9-13;/h1-7,13,20H,8-11H2,(H,21,22);/q;+1/p-1.
What are the key properties of sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate?
sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate has a molecular weight of 401.85 g/mol, XLogP of -1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]acetate is sourced from PubChem (CID 23669776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).