2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide

C20H19N3O2S — CID 52941468

IUPAC2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)c(C)c1
InChIInChI=1S/C20H19N3O2S/c1-12-8-13(2)20(14(3)9-12)26(24,25)23-15-4-5-18-16(10-15)17-11-21-7-6-19(17)22-18/h4-11,22-23H,1-3H3
InChIKeyWGDHSTSMUHBVMW-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.44
Rot. Bonds3

About 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide

2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide (PubChem CID 52941468) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
PubChem CID52941468
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)c(C)c1
InChIInChI=1S/C20H19N3O2S/c1-12-8-13(2)20(14(3)9-12)26(24,25)23-15-4-5-18-16(10-15)17-11-21-7-6-19(17)22-18/h4-11,22-23H,1-3H3
InChIKeyWGDHSTSMUHBVMW-UHFFFAOYSA-N
XLogP4.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52946231
2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346354
2,4,6-trimethyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 92646116
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110405797
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110668633
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
N-[4-(1H-indol-2-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 46331635
N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
CID 116985827
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759567

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide (CID 52941468) is 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide?
The InChIKey is WGDHSTSMUHBVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-8-13(2)20(14(3)9-12)26(24,25)23-15-4-5-18-16(10-15)17-11-21-7-6-19(17)22-18/h4-11,22-23H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide is sourced from PubChem (CID 52941468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).