N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide

C18H20N2O2S — CID 110427813

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-3-5-15(6-4-13)12-23(21,22)19-11-16-7-8-18-17(10-16)9-14(2)20-18/h3-10,19-20H,11-12H2,1-2H3
InChIKeyKFFLSEIWQDMOCU-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.40
Rot. Bonds5

About N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide

N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110427813) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110427813
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-3-5-15(6-4-13)12-23(21,22)19-11-16-7-8-18-17(10-16)9-14(2)20-18/h3-10,19-20H,11-12H2,1-2H3
InChIKeyKFFLSEIWQDMOCU-UHFFFAOYSA-N
XLogP3.40
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 110604340
4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide
CID 110427789
2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide
CID 110618898
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110666149
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110427837
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110666154
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide (CID 110427813) is N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)cc1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is KFFLSEIWQDMOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-3-5-15(6-4-13)12-23(21,22)19-11-16-7-8-18-17(10-16)9-14(2)20-18/h3-10,19-20H,11-12H2,1-2H3.
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110427813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).