N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C17H17N3O6S — CID 37161571

IUPACN-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C17H17N3O6S/c1-18(26-2)27(24,25)15-5-3-4-13(10-15)17(21)19-9-8-12-6-7-14(20(22)23)11-16(12)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyVBBHBFXHZSUJFV-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.98
Rot. Bonds5

About N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 37161571) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID37161571
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC NameN-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C17H17N3O6S/c1-18(26-2)27(24,25)15-5-3-4-13(10-15)17(21)19-9-8-12-6-7-14(20(22)23)11-16(12)19/h3-7,10-11H,8-9H2,1-2H3
InChIKeyVBBHBFXHZSUJFV-UHFFFAOYSA-N
XLogP1.98
TPSA110.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161956
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 35125317
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
N-methoxy-N-methyl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31843707
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 86958748
[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 55645791
N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161902
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 37161571) is N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is CON(C)S(=O)(=O)c1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1.
What is the InChIKey of N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is VBBHBFXHZSUJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-18(26-2)27(24,25)15-5-3-4-13(10-15)17(21)19-9-8-12-6-7-14(20(22)23)11-16(12)19/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 391.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 37161571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).