2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide

C18H19FN2O2S — CID 110618898

IUPAC2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)CCc3ccccc3F)ccc2[nH]1
InChIInChI=1S/C18H19FN2O2S/c1-13-10-16-11-14(6-7-18(16)21-13)12-20-24(22,23)9-8-15-4-2-3-5-17(15)19/h2-7,10-11,20-21H,8-9,12H2,1H3
InChIKeySNWLZRBSEJBLRR-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide

2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide (PubChem CID 110618898) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide
PubChem CID110618898
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide
SMILESCc1cc2cc(CNS(=O)(=O)CCc3ccccc3F)ccc2[nH]1
InChIInChI=1S/C18H19FN2O2S/c1-13-10-16-11-14(6-7-18(16)21-13)12-20-24(22,23)9-8-15-4-2-3-5-17(15)19/h2-7,10-11,20-21H,8-9,12H2,1H3
InChIKeySNWLZRBSEJBLRR-UHFFFAOYSA-N
XLogP3.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.28
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
N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110427813
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110666149
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110666154
4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide
CID 110427789
N-[(2-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxamide
CID 110695040
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
2-[2-(2-fluorophenyl)ethylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110619310
2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide
CID 110356377
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
CID 110780051
2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
CID 107650619

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide (CID 110618898) is 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide is Cc1cc2cc(CNS(=O)(=O)CCc3ccccc3F)ccc2[nH]1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide?
The InChIKey is SNWLZRBSEJBLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-13-10-16-11-14(6-7-18(16)21-13)12-20-24(22,23)9-8-15-4-2-3-5-17(15)19/h2-7,10-11,20-21H,8-9,12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide?
2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide has a molecular weight of 346.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 110618898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).