2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid

C17H16ClNO5S — CID 19840494

IUPAC2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)OCCC2NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO5S/c18-12-2-4-13(5-3-12)25(22,23)19-15-7-8-24-16-9-11(10-17(20)21)1-6-14(15)16/h1-6,9,15,19H,7-8,10H2,(H,20,21)
InChIKeyQQKDBBSAMAJUQY-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.77
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid

2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid (PubChem CID 19840494) has the molecular formula C17H16ClNO5S and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid
PubChem CID19840494
Molecular FormulaC17H16ClNO5S
Molecular Weight381.84 g/mol
Exact Mass381.04
IUPAC Name2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)OCCC2NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO5S/c18-12-2-4-13(5-3-12)25(22,23)19-15-7-8-24-16-9-11(10-17(20)21)1-6-14(15)16/h1-6,9,15,19H,7-8,10H2,(H,20,21)
InChIKeyQQKDBBSAMAJUQY-UHFFFAOYSA-N
XLogP2.77
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 108783097
3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
CID 68929242
3-[[2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetyl]amino]propanoic acid
CID 14883964
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzenesulfonamide
CID 108781699
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 79723808
2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
CID 135149146
2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
CID 14071542
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
N-(3,4-dihydro-2H-chromen-4-yl)-4-[2-(1,3-dioxoisoindol-2-yl)ethyl]benzenesulfonamide
CID 108781652
3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 18193013
N-[4-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)sulfamoyl]phenyl]acetamide
CID 108781692
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid (CID 19840494) is 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid is O=C(O)Cc1ccc2c(c1)OCCC2NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid?
The InChIKey is QQKDBBSAMAJUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5S/c18-12-2-4-13(5-3-12)25(22,23)19-15-7-8-24-16-9-11(10-17(20)21)1-6-14(15)16/h1-6,9,15,19H,7-8,10H2,(H,20,21).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid?
2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid has a molecular weight of 381.84 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid is sourced from PubChem (CID 19840494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).