N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide

C16H15N3O6S — CID 46273346

IUPACN-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC
InChIInChI=1S/C16H15N3O6S/c1-24-14-6-3-10(7-15(14)25-2)18-26(22,23)16-9-17-13-5-4-11(19(20)21)8-12(13)16/h3-9,17-18H,1-2H3
InChIKeyCXMWLYGVJGVKBB-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.89
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide

N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide (PubChem CID 46273346) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide
PubChem CID46273346
Molecular FormulaC16H15N3O6S
Molecular Weight377.38 g/mol
Exact Mass377.07
IUPAC NameN-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC
InChIInChI=1S/C16H15N3O6S/c1-24-14-6-3-10(7-15(14)25-2)18-26(22,23)16-9-17-13-5-4-11(19(20)21)8-12(13)16/h3-9,17-18H,1-2H3
InChIKeyCXMWLYGVJGVKBB-UHFFFAOYSA-N
XLogP2.89
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
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

5-nitro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-sulfonamide
CID 46273380
5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-indole-3-sulfonamide
CID 46273386
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
CID 55895075
N-methyl-5-nitro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-sulfonamide
CID 90799743
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148017
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092796
N-(3-methoxy-4-methylphenyl)-4-nitrobenzenesulfonamide
CID 170925249
N-(4-fluoro-3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 124620748

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide (CID 46273346) is N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide is COc1ccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide?
The InChIKey is CXMWLYGVJGVKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c1-24-14-6-3-10(7-15(14)25-2)18-26(22,23)16-9-17-13-5-4-11(19(20)21)8-12(13)16/h3-9,17-18H,1-2H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide?
N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide has a molecular weight of 377.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide is sourced from PubChem (CID 46273346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).