N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

C23H22N2O2S — CID 46331635

IUPACN-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c(C)c1
InChIInChI=1S/C23H22N2O2S/c1-15-12-16(2)23(17(3)13-15)28(26,27)25-20-10-8-18(9-11-20)22-14-19-6-4-5-7-21(19)24-22/h4-14,24-25H,1-3H3
InChIKeyCUAZDXVGPCXTPS-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.56
Rot. Bonds4

About N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 46331635) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID46331635
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c(C)c1
InChIInChI=1S/C23H22N2O2S/c1-15-12-16(2)23(17(3)13-15)28(26,27)25-20-10-8-18(9-11-20)22-14-19-6-4-5-7-21(19)24-22/h4-14,24-25H,1-3H3
InChIKeyCUAZDXVGPCXTPS-UHFFFAOYSA-N
XLogP5.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-indol-2-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 46331646
N-[4-(1H-indol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 46331649
N-[4-(1H-indol-2-yl)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 46331654
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380985
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346354
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 43069543
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
4-(1H-indol-2-yl)phenol
CID 11287260

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 46331635) is N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c(C)c1.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is CUAZDXVGPCXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-15-12-16(2)23(17(3)13-15)28(26,27)25-20-10-8-18(9-11-20)22-14-19-6-4-5-7-21(19)24-22/h4-14,24-25H,1-3H3.
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 46331635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).