3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide

C19H15N5O2S2 — CID 123273446

IUPAC3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
SMILESCc1cc(C#N)ccc1-c1c[nH]c2cc(S(=O)(=O)N(C)c3ncns3)ccc12
InChIInChI=1S/C19H15N5O2S2/c1-12-7-13(9-20)3-5-15(12)17-10-21-18-8-14(4-6-16(17)18)28(25,26)24(2)19-22-11-23-27-19/h3-8,10-11,21H,1-2H3
InChIKeyBDZZZWFIEOFPBK-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.69
Rot. Bonds4

About 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide

3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide (PubChem CID 123273446) has the molecular formula C19H15N5O2S2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide.

Molecular Properties

Compound Name3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
PubChem CID123273446
Molecular FormulaC19H15N5O2S2
Molecular Weight409.50 g/mol
Exact Mass409.07
IUPAC Name3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
SMILESCc1cc(C#N)ccc1-c1c[nH]c2cc(S(=O)(=O)N(C)c3ncns3)ccc12
InChIInChI=1S/C19H15N5O2S2/c1-12-7-13(9-20)3-5-15(12)17-10-21-18-8-14(4-6-16(17)18)28(25,26)24(2)19-22-11-23-27-19/h3-8,10-11,21H,1-2H3
InChIKeyBDZZZWFIEOFPBK-UHFFFAOYSA-N
XLogP3.69
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-cyano-4-(trifluoromethyl)phenyl]-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
CID 123500579
3-(4-cyano-2-methylphenyl)-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259310
3-methyl-4-[6-(1,2,4-thiadiazol-5-ylmethylsulfonyl)isoquinolin-1-yl]benzonitrile
CID 158301842
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
4-cyano-N,N,2-trimethylbenzenesulfonamide
CID 103688766
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
4-(4-bromothiophen-3-yl)-3-methylbenzonitrile
CID 67254694
4-cyano-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106997278
3-nitroso-1H-indole-6-carbonitrile
CID 118241553
6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
CID 115268088
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide?
The IUPAC name of 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide (CID 123273446) is 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide.
What is the SMILES notation for 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide?
The canonical SMILES for 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide is Cc1cc(C#N)ccc1-c1c[nH]c2cc(S(=O)(=O)N(C)c3ncns3)ccc12.
What is the InChIKey of 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide?
The InChIKey is BDZZZWFIEOFPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S2/c1-12-7-13(9-20)3-5-15(12)17-10-21-18-8-14(4-6-16(17)18)28(25,26)24(2)19-22-11-23-27-19/h3-8,10-11,21H,1-2H3.
What are the key properties of 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide?
3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide has a molecular weight of 409.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-methylphenyl)-N-methyl-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide is sourced from PubChem (CID 123273446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).