sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride

C17H18ClN2NaO4S — CID 173388664

IUPACsodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
SMILESO=C(O)CNc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.[H-].[Na+]
InChIInChI=1S/C17H17ClN2O4S.Na.H/c18-13-2-5-16(6-3-13)25(23,24)20-15-7-11-1-4-14(8-12(11)9-15)19-10-17(21)22;;/h1-6,8,15,19-20H,7,9-10H2,(H,21,22);;/q;+1;-1
InChIKeyARCTWEUKRGPBKZ-UHFFFAOYSA-N
MW404.85 g/mol
LogP-0.60
Rot. Bonds6

About sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride

sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride (PubChem CID 173388664) has the molecular formula C17H18ClN2NaO4S and a molecular weight of 404.85 g/mol. Its IUPAC name is sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
PubChem CID173388664
Molecular FormulaC17H18ClN2NaO4S
Molecular Weight404.85 g/mol
Exact Mass404.06
IUPAC Namesodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
SMILESO=C(O)CNc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.[H-].[Na+]
InChIInChI=1S/C17H17ClN2O4S.Na.H/c18-13-2-5-16(6-3-13)25(23,24)20-15-7-11-1-4-14(8-12(11)9-15)19-10-17(21)22;;/h1-6,8,15,19-20H,7,9-10H2,(H,21,22);;/q;+1;-1
InChIKeyARCTWEUKRGPBKZ-UHFFFAOYSA-N
XLogP-0.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride 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

sodium 4-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetyl]amino]butanoate
CID 23712405
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
CID 3087365
3-[[2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetyl]amino]propanoic acid
CID 14883964
3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoic acid
CID 15078407
[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111795
sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate
CID 23685652
N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide
CID 101154632
2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
CID 14071542
3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate
CID 19776949
4-chloro-N-[5-(pyridine-3-carbonyl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 10364382
N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943885
sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 23685647

Frequently Asked Questions

What is the IUPAC name of sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride?
The IUPAC name of sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride (CID 173388664) is sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride.
What is the SMILES notation for sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride?
The canonical SMILES for sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride is O=C(O)CNc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.[H-].[Na+].
What is the InChIKey of sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride?
The InChIKey is ARCTWEUKRGPBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S.Na.H/c18-13-2-5-16(6-3-13)25(23,24)20-15-7-11-1-4-14(8-12(11)9-15)19-10-17(21)22;;/h1-6,8,15,19-20H,7,9-10H2,(H,21,22);;/q;+1;-1.
What are the key properties of sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride?
sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride has a molecular weight of 404.85 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride is sourced from PubChem (CID 173388664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).