2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide

C22H22N4O5S2 — CID 139016612

IUPAC2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
SMILESNS(=O)(=O)N1CCc2ccc(NC(=O)C(NS(=O)(=O)c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C22H22N4O5S2/c23-33(30,31)26-14-13-16-11-12-18(15-20(16)26)24-22(27)21(17-7-3-1-4-8-17)25-32(28,29)19-9-5-2-6-10-19/h1-12,15,21,25H,13-14H2,(H,24,27)(H2,23,30,31)
InChIKeyXNFFNNIOESQOKE-UHFFFAOYSA-N
MW486.58 g/mol
LogP1.91
Rot. Bonds7

About 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide

2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide (PubChem CID 139016612) has the molecular formula C22H22N4O5S2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
PubChem CID139016612
Molecular FormulaC22H22N4O5S2
Molecular Weight486.58 g/mol
Exact Mass486.10
IUPAC Name2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
SMILESNS(=O)(=O)N1CCc2ccc(NC(=O)C(NS(=O)(=O)c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C22H22N4O5S2/c23-33(30,31)26-14-13-16-11-12-18(15-20(16)26)24-22(27)21(17-7-3-1-4-8-17)25-32(28,29)19-9-5-2-6-10-19/h1-12,15,21,25H,13-14H2,(H,24,27)(H2,23,30,31)
InChIKeyXNFFNNIOESQOKE-UHFFFAOYSA-N
XLogP1.91
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide
CID 71888483
2-(cyclopropylmethoxy)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
CID 51090603
trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 97014074
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 136582526
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
CID 6942072
3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide
CID 10189485
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9432096
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 70638313
N-(4-bromo-3-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864405

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide (CID 139016612) is 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide is NS(=O)(=O)N1CCc2ccc(NC(=O)C(NS(=O)(=O)c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide?
The InChIKey is XNFFNNIOESQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S2/c23-33(30,31)26-14-13-16-11-12-18(15-20(16)26)24-22(27)21(17-7-3-1-4-8-17)25-32(28,29)19-9-5-2-6-10-19/h1-12,15,21,25H,13-14H2,(H,24,27)(H2,23,30,31).
What are the key properties of 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide?
2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide has a molecular weight of 486.58 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide is sourced from PubChem (CID 139016612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).