N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C18H19N3O5S — CID 37161902

IUPACN,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(C)c1C
InChIInChI=1S/C18H19N3O5S/c1-11-8-14(9-17(12(11)2)27(25,26)19-3)18(22)20-7-6-13-4-5-15(21(23)24)10-16(13)20/h4-5,8-10,19H,6-7H2,1-3H3
InChIKeyKNVRCPDCZYTBMU-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.32
Rot. Bonds4

About N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 37161902) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID37161902
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(C)c1C
InChIInChI=1S/C18H19N3O5S/c1-11-8-14(9-17(12(11)2)27(25,26)19-3)18(22)20-7-6-13-4-5-15(21(23)24)10-16(13)20/h4-5,8-10,19H,6-7H2,1-3H3
InChIKeyKNVRCPDCZYTBMU-UHFFFAOYSA-N
XLogP2.32
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.32
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

(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
N,N-diethyl-2-methyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55483239
N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 37162744
(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37162521
N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161956
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
1-[2,4-dimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 37163175
N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161571
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 55645791
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 37163279

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 37161902) is N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc(C)c1C.
What is the InChIKey of N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is KNVRCPDCZYTBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-11-8-14(9-17(12(11)2)27(25,26)19-3)18(22)20-7-6-13-4-5-15(21(23)24)10-16(13)20/h4-5,8-10,19H,6-7H2,1-3H3.
What are the key properties of N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 37161902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).