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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Related Compounds

methyl 4-(5-methoxy-3H-indol-2-yl)benzoate
CID 149248576
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
5-methoxy-2-propan-2-yl-3H-indole
CID 158556156
N-[4-[(3S)-3-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41049263
N-[4-[3-(2,4-dimethoxyphenyl)-2-ethylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71916495
N-[4-[2-(2-chloroacetyl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71848055
N-[4-(6,7-dichloro-3H-pyrrolo[3,2-b]pyridin-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 159412968
N-[4-[3-(2-cyanoethyl)-6-methoxy-1H-indol-2-yl]phenyl]methanesulfonamide
CID 90928809
N-[4-[(3R)-3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41049255
N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
CID 20504403
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536

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).