N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide

C17H16N2O3S — CID 89040271

IUPACN-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C=O)[nH]c12
InChIInChI=1S/C17H16N2O3S/c1-12-6-3-4-9-16(12)23(21,22)19(2)15-8-5-7-13-10-14(11-20)18-17(13)15/h3-11,18H,1-2H3
InChIKeyGBJVEBNYVGQOES-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.11
Rot. Bonds4

About N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide

N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide (PubChem CID 89040271) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide
PubChem CID89040271
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C=O)[nH]c12
InChIInChI=1S/C17H16N2O3S/c1-12-6-3-4-9-16(12)23(21,22)19(2)15-8-5-7-13-10-14(11-20)18-17(13)15/h3-11,18H,1-2H3
InChIKeyGBJVEBNYVGQOES-UHFFFAOYSA-N
XLogP3.11
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide (CID 89040271) is N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C=O)[nH]c12.
What is the InChIKey of N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is GBJVEBNYVGQOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-6-3-4-9-16(12)23(21,22)19(2)15-8-5-7-13-10-14(11-20)18-17(13)15/h3-11,18H,1-2H3.
What are the key properties of N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide?
N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-1H-indol-7-yl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 89040271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).