4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide

C18H20N2O3S — CID 118337075

IUPAC4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3[nH]c(C(C)C)cc23)cc1
InChIInChI=1S/C18H20N2O3S/c1-12(2)18-11-15-16(19-18)5-4-6-17(15)20-24(21,22)14-9-7-13(23-3)8-10-14/h4-12,19-20H,1-3H3
InChIKeyNPTGHQOBZFDVKG-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.10
Rot. Bonds5

About 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide

4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide (PubChem CID 118337075) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide
PubChem CID118337075
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3[nH]c(C(C)C)cc23)cc1
InChIInChI=1S/C18H20N2O3S/c1-12(2)18-11-15-16(19-18)5-4-6-17(15)20-24(21,22)14-9-7-13(23-3)8-10-14/h4-12,19-20H,1-3H3
InChIKeyNPTGHQOBZFDVKG-UHFFFAOYSA-N
XLogP4.10
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate
CID 154653289
N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 3456626
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
CID 67156366
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-[2-[2-(1-hydroxyethyl)phenyl]phenyl]-4-methoxybenzenesulfonamide
CID 69255044
4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate
CID 3691156
4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide
CID 3438491
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide (CID 118337075) is 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3[nH]c(C(C)C)cc23)cc1.
What is the InChIKey of 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide?
The InChIKey is NPTGHQOBZFDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12(2)18-11-15-16(19-18)5-4-6-17(15)20-24(21,22)14-9-7-13(23-3)8-10-14/h4-12,19-20H,1-3H3.
What are the key properties of 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide?
4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118337075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).