N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide

C21H24N2O2S — CID 58731245

IUPACN-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
SMILESCc1ccc(C(C)(c2c[nH]c3c(NS(C)(=O)=O)cccc23)C2CC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-14-7-9-15(10-8-14)21(2,16-11-12-16)18-13-22-20-17(18)5-4-6-19(20)23-26(3,24)25/h4-10,13,16,22-23H,11-12H2,1-3H3
InChIKeyBIHSEQOJWWXWOI-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.56
Rot. Bonds5

About N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide

N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 58731245) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
PubChem CID58731245
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
SMILESCc1ccc(C(C)(c2c[nH]c3c(NS(C)(=O)=O)cccc23)C2CC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-14-7-9-15(10-8-14)21(2,16-11-12-16)18-13-22-20-17(18)5-4-6-19(20)23-26(3,24)25/h4-10,13,16,22-23H,11-12H2,1-3H3
InChIKeyBIHSEQOJWWXWOI-UHFFFAOYSA-N
XLogP4.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide (CID 58731245) is N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide is Cc1ccc(C(C)(c2c[nH]c3c(NS(C)(=O)=O)cccc23)C2CC2)cc1.
What is the InChIKey of N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is BIHSEQOJWWXWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14-7-9-15(10-8-14)21(2,16-11-12-16)18-13-22-20-17(18)5-4-6-19(20)23-26(3,24)25/h4-10,13,16,22-23H,11-12H2,1-3H3.
What are the key properties of N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-cyclopropyl-1-(4-methylphenyl)ethyl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 58731245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).