N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide

C19H22N2O2S2 — CID 142928078

IUPACN-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide
SMILESCSc1ccc(C(C)(C)c2c[nH]c3c(NS(C)(=O)=O)cccc23)cc1
InChIInChI=1S/C19H22N2O2S2/c1-19(2,13-8-10-14(24-3)11-9-13)16-12-20-18-15(16)6-5-7-17(18)21-25(4,22)23/h5-12,20-21H,1-4H3
InChIKeyMIDBTSZUPSNLCA-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.59
Rot. Bonds5

About N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide

N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 142928078) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide
PubChem CID142928078
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC NameN-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide
SMILESCSc1ccc(C(C)(C)c2c[nH]c3c(NS(C)(=O)=O)cccc23)cc1
InChIInChI=1S/C19H22N2O2S2/c1-19(2,13-8-10-14(24-3)11-9-13)16-12-20-18-15(16)6-5-7-17(18)21-25(4,22)23/h5-12,20-21H,1-4H3
InChIKeyMIDBTSZUPSNLCA-UHFFFAOYSA-N
XLogP4.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide (CID 142928078) is N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide is CSc1ccc(C(C)(C)c2c[nH]c3c(NS(C)(=O)=O)cccc23)cc1.
What is the InChIKey of N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is MIDBTSZUPSNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S2/c1-19(2,13-8-10-14(24-3)11-9-13)16-12-20-18-15(16)6-5-7-17(18)21-25(4,22)23/h5-12,20-21H,1-4H3.
What are the key properties of N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide has a molecular weight of 374.53 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methylsulfanylphenyl)propan-2-yl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 142928078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).