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

C18H15N3O2S — CID 52946231

IUPAC4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)cc1
InChIInChI=1S/C18H15N3O2S/c1-12-2-5-14(6-3-12)24(22,23)21-13-4-7-17-15(10-13)16-11-19-9-8-18(16)20-17/h2-11,20-21H,1H3
InChIKeyOFYTUPQZGDDYTL-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.83
Rot. Bonds3

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

4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide (PubChem CID 52946231) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
PubChem CID52946231
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)cc1
InChIInChI=1S/C18H15N3O2S/c1-12-2-5-14(6-3-12)24(22,23)21-13-4-7-17-15(10-13)16-11-19-9-8-18(16)20-17/h2-11,20-21H,1H3
InChIKeyOFYTUPQZGDDYTL-UHFFFAOYSA-N
XLogP3.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52941468
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide
CID 169372574
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylphenyl)-1H-indol-2-yl] N-pyridin-4-ylcarbamate
CID 68852470
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(7-ethoxy-9-oxo-10H-acridin-3-yl)-4-methylbenzenesulfonamide
CID 169373409
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide
CID 54554079
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789421
N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide
CID 169372757

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide (CID 52946231) is 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c4ccncc4c3c2)cc1.
What is the InChIKey of 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide?
The InChIKey is OFYTUPQZGDDYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-12-2-5-14(6-3-12)24(22,23)21-13-4-7-17-15(10-13)16-11-19-9-8-18(16)20-17/h2-11,20-21H,1H3.
What are the key properties of 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide?
4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide is sourced from PubChem (CID 52946231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).