N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide

C17H18N2O3S — CID 3456626

IUPACN-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c(C)c(C)[nH]c23)cc1
InChIInChI=1S/C17H18N2O3S/c1-11-12(2)18-17-15(11)5-4-6-16(17)19-23(20,21)14-9-7-13(22-3)8-10-14/h4-10,18-19H,1-3H3
InChIKeySYJJOYBZDOCMLT-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.59
Rot. Bonds4

About N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide

N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide (PubChem CID 3456626) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
PubChem CID3456626
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c(C)c(C)[nH]c23)cc1
InChIInChI=1S/C17H18N2O3S/c1-11-12(2)18-17-15(11)5-4-6-16(17)19-23(20,21)14-9-7-13(22-3)8-10-14/h4-10,18-19H,1-3H3
InChIKeySYJJOYBZDOCMLT-UHFFFAOYSA-N
XLogP3.59
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide
CID 118337075
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855
4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
CID 169372936
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
N-(2,3-dimethyl-1H-indol-7-yl)formamide
CID 174861152
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide (CID 3456626) is N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3c(C)c(C)[nH]c23)cc1.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide?
The InChIKey is SYJJOYBZDOCMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-12(2)18-17-15(11)5-4-6-16(17)19-23(20,21)14-9-7-13(22-3)8-10-14/h4-10,18-19H,1-3H3.
What are the key properties of N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide?
N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3456626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).