2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid

C21H17Cl2N3O4S — CID 59277459

IUPAC2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid
SMILESO=C(O)CN(c1ccc2c(c1)CCN2c1ccncc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl2N3O4S/c22-15-10-16(23)12-19(11-15)31(29,30)26(13-21(27)28)18-1-2-20-14(9-18)5-8-25(20)17-3-6-24-7-4-17/h1-4,6-7,9-12H,5,8,13H2,(H,27,28)
InChIKeyXVSUXOXHIPVAEO-UHFFFAOYSA-N
MW478.36 g/mol
LogP4.36
Rot. Bonds6

About 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid

2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid (PubChem CID 59277459) has the molecular formula C21H17Cl2N3O4S and a molecular weight of 478.36 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid
PubChem CID59277459
Molecular FormulaC21H17Cl2N3O4S
Molecular Weight478.36 g/mol
Exact Mass477.03
IUPAC Name2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid
SMILESO=C(O)CN(c1ccc2c(c1)CCN2c1ccncc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H17Cl2N3O4S/c22-15-10-16(23)12-19(11-15)31(29,30)26(13-21(27)28)18-1-2-20-14(9-18)5-8-25(20)17-3-6-24-7-4-17/h1-4,6-7,9-12H,5,8,13H2,(H,27,28)
InChIKeyXVSUXOXHIPVAEO-UHFFFAOYSA-N
XLogP4.36
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetate
CID 59277293
2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59334956
[(3,5-dichlorophenyl)sulfonyl-(1-pyrimidin-2-yl-2,3-dihydroindol-5-yl)amino]methylphosphonic acid
CID 25147517
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylimidazol-2-yl)-2,3-dihydroindol-5-yl]amino]acetate
CID 59277138
3,5-dichloro-N-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 59277406
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(pyridin-4-ylcarbamoyl)-2,3-dihydroindol-5-yl]amino]acetate
CID 59335034
tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate
CID 59277013
tert-butyl 4-[2-[5-[(3,5-dichlorophenyl)sulfonyl-(2-ethoxy-2-oxoethyl)amino]-2,3-dihydroindol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 59276834
2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylpyrazol-4-yl)indol-5-yl]amino]acetic acid
CID 59277451
2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59276864
2-[(3,5-dichlorophenyl)sulfonyl-(1-pyrimidin-2-ylbenzimidazol-5-yl)amino]acetic acid
CID 59276992
2-[(3,5-dichlorophenyl)sulfonyl-[1-(4-piperazin-1-ylpyrimidin-2-yl)-2,3-dihydroindol-5-yl]amino]butanoic acid
CID 68586088

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid (CID 59277459) is 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid is O=C(O)CN(c1ccc2c(c1)CCN2c1ccncc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid?
The InChIKey is XVSUXOXHIPVAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4S/c22-15-10-16(23)12-19(11-15)31(29,30)26(13-21(27)28)18-1-2-20-14(9-18)5-8-25(20)17-3-6-24-7-4-17/h1-4,6-7,9-12H,5,8,13H2,(H,27,28).
What are the key properties of 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid?
2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid has a molecular weight of 478.36 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid is sourced from PubChem (CID 59277459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).