N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide

C21H17N3O5S — CID 37162744

IUPACN-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C21H17N3O5S/c25-21(23-13-12-15-8-11-18(24(26)27)14-20(15)23)16-6-9-17(10-7-16)22-30(28,29)19-4-2-1-3-5-19/h1-11,14,22H,12-13H2
InChIKeyRVNBYDPFGBUVBW-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.60
Rot. Bonds5

About N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide

N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 37162744) has the molecular formula C21H17N3O5S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID37162744
Molecular FormulaC21H17N3O5S
Molecular Weight423.45 g/mol
Exact Mass423.09
IUPAC NameN-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C21H17N3O5S/c25-21(23-13-12-15-8-11-18(24(26)27)14-20(15)23)16-6-9-17(10-7-16)22-30(28,29)19-4-2-1-3-5-19/h1-11,14,22H,12-13H2
InChIKeyRVNBYDPFGBUVBW-UHFFFAOYSA-N
XLogP3.60
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.60
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'}

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Related Compounds

4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 37163279
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 26681039
N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161956
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
CID 16835048
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
(6-nitro-2,3-dihydroindol-1-yl)-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 16582546
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161571
N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161902

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide (CID 37162744) is N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is RVNBYDPFGBUVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5S/c25-21(23-13-12-15-8-11-18(24(26)27)14-20(15)23)16-6-9-17(10-7-16)22-30(28,29)19-4-2-1-3-5-19/h1-11,14,22H,12-13H2.
What are the key properties of N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 423.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 37162744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).