N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide

C16H15N3O5S — CID 42388544

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21
InChIInChI=1S/C16H15N3O5S/c1-11(20)18-9-8-12-10-13(6-7-14(12)18)17-25(23,24)16-5-3-2-4-15(16)19(21)22/h2-7,10,17H,8-9H2,1H3
InChIKeyKSKANXMURCHNGN-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.30
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide (PubChem CID 42388544) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide
PubChem CID42388544
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21
InChIInChI=1S/C16H15N3O5S/c1-11(20)18-9-8-12-10-13(6-7-14(12)18)17-25(23,24)16-5-3-2-4-15(16)19(21)22/h2-7,10,17H,8-9H2,1H3
InChIKeyKSKANXMURCHNGN-UHFFFAOYSA-N
XLogP2.30
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide 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

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-nitrobenzenesulfonamide
CID 7517558
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-2-methylbenzenesulfonamide;molecular hydrogen
CID 161351368
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-3-nitrobenzamide
CID 42423999
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 7517597
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 42388555
N-(6-acetylnaphthalen-2-yl)-2-nitrobenzenesulfonamide
CID 53468341
2-nitro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955900
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-propoxybenzenesulfonamide
CID 42388579
1-acetyl-N-(2,4-dimethyl-5-nitrophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 86910186

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide (CID 42388544) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide is CC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide?
The InChIKey is KSKANXMURCHNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-11(20)18-9-8-12-10-13(6-7-14(12)18)17-25(23,24)16-5-3-2-4-15(16)19(21)22/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide has a molecular weight of 361.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 42388544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).