N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide

C24H24N2O3S — CID 155908097

IUPACN-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(C)c1-c1c(C)[nH]c2ccccc12
InChIInChI=1S/C24H24N2O3S/c1-15-9-11-19(12-10-15)30(27,28)26-18-13-16(2)23(22(14-18)29-4)24-17(3)25-21-8-6-5-7-20(21)24/h5-14,25-26H,1-4H3
InChIKeyQNCFMJOLTFSSEA-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.57
Rot. Bonds5

About N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide

N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 155908097) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID155908097
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(C)c1-c1c(C)[nH]c2ccccc12
InChIInChI=1S/C24H24N2O3S/c1-15-9-11-19(12-10-15)30(27,28)26-18-13-16(2)23(22(14-18)29-4)24-17(3)25-21-8-6-5-7-20(21)24/h5-14,25-26H,1-4H3
InChIKeyQNCFMJOLTFSSEA-UHFFFAOYSA-N
XLogP5.57
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
CID 169372936
N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide
CID 138964681
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
4-methoxy-1,2-dimethyl-9H-pyrido[3,4-b]indol-2-ium;4-methylbenzenesulfonate
CID 11429438
N-(2-cyano-5,6-dimethoxy-1H-indol-3-yl)-4-methylbenzenesulfonamide
CID 86278736
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide (CID 155908097) is N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(C)c1-c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is QNCFMJOLTFSSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-15-9-11-19(12-10-15)30(27,28)26-18-13-16(2)23(22(14-18)29-4)24-17(3)25-21-8-6-5-7-20(21)24/h5-14,25-26H,1-4H3.
What are the key properties of N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide?
N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 155908097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).