N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide

C16H16N2O3S — CID 171751993

IUPACN-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide
SMILESCOc1ccc2c(c1)CC(c1ccc(NS(C)(=O)=O)cc1)=N2
InChIInChI=1S/C16H16N2O3S/c1-21-14-7-8-15-12(9-14)10-16(17-15)11-3-5-13(6-4-11)18-22(2,19)20/h3-9,18H,10H2,1-2H3
InChIKeyBZEDYVAKTIYVOM-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.74
Rot. Bonds4

About N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide

N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide (PubChem CID 171751993) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide
PubChem CID171751993
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide
SMILESCOc1ccc2c(c1)CC(c1ccc(NS(C)(=O)=O)cc1)=N2
InChIInChI=1S/C16H16N2O3S/c1-21-14-7-8-15-12(9-14)10-16(17-15)11-3-5-13(6-4-11)18-22(2,19)20/h3-9,18H,10H2,1-2H3
InChIKeyBZEDYVAKTIYVOM-UHFFFAOYSA-N
XLogP2.74
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide (CID 171751993) is N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide is COc1ccc2c(c1)CC(c1ccc(NS(C)(=O)=O)cc1)=N2.
What is the InChIKey of N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide?
The InChIKey is BZEDYVAKTIYVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-21-14-7-8-15-12(9-14)10-16(17-15)11-3-5-13(6-4-11)18-22(2,19)20/h3-9,18H,10H2,1-2H3.
What are the key properties of N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide?
N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-3H-indol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 171751993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).