2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide

C20H18N4O3S — CID 112983211

IUPAC2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccncc4)cc3)ccc2N1
InChIInChI=1S/C20H18N4O3S/c25-20-12-15-11-18(5-6-19(15)23-20)28(26,27)24-17-3-1-16(2-4-17)22-13-14-7-9-21-10-8-14/h1-11,22,24H,12-13H2,(H,23,25)
InChIKeyKSFBQKINBIVOKL-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.99
Rot. Bonds6

About 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide

2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 112983211) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide
PubChem CID112983211
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccncc4)cc3)ccc2N1
InChIInChI=1S/C20H18N4O3S/c25-20-12-15-11-18(5-6-19(15)23-20)28(26,27)24-17-3-1-16(2-4-17)22-13-14-7-9-21-10-8-14/h1-11,22,24H,12-13H2,(H,23,25)
InChIKeyKSFBQKINBIVOKL-UHFFFAOYSA-N
XLogP2.99
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112981006
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydroindole-5-sulfonamide
CID 110724194
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110872393
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
N-[3-(hydroxymethyl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9067979
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
N-(1H-indazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7530705
N,N-dimethyl-4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 24580874
N-(3H-benzimidazol-5-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110724406

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide (CID 112983211) is 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccncc4)cc3)ccc2N1.
What is the InChIKey of 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is KSFBQKINBIVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c25-20-12-15-11-18(5-6-19(15)23-20)28(26,27)24-17-3-1-16(2-4-17)22-13-14-7-9-21-10-8-14/h1-11,22,24H,12-13H2,(H,23,25).
What are the key properties of 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 112983211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).