N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide

C22H20N2O4S — CID 46331646

IUPACN-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C22H20N2O4S/c1-27-18-11-12-21(28-2)22(14-18)29(25,26)24-17-9-7-15(8-10-17)20-13-16-5-3-4-6-19(16)23-20/h3-14,23-24H,1-2H3
InChIKeyXYJBJFSXQFJPTH-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.65
Rot. Bonds6

About N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide

N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 46331646) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID46331646
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C22H20N2O4S/c1-27-18-11-12-21(28-2)22(14-18)29(25,26)24-17-9-7-15(8-10-17)20-13-16-5-3-4-6-19(16)23-20/h3-14,23-24H,1-2H3
InChIKeyXYJBJFSXQFJPTH-UHFFFAOYSA-N
XLogP4.65
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 46331635
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 86807266
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7421295
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 110724381

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide (CID 46331646) is N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is XYJBJFSXQFJPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-27-18-11-12-21(28-2)22(14-18)29(25,26)24-17-9-7-15(8-10-17)20-13-16-5-3-4-6-19(16)23-20/h3-14,23-24H,1-2H3.
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 46331646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).