3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide

C18H18FN3O3S — CID 126574772

IUPAC3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H18FN3O3S/c1-20-18(23)8-9-22-26(24,25)14-5-2-12(3-6-14)16-11-21-17-10-13(19)4-7-15(16)17/h2-7,10-11,21-22H,8-9H2,1H3,(H,20,23)
InChIKeyAONHZBQGVYQNPG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.39
Rot. Bonds6

About 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide

3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide (PubChem CID 126574772) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide
PubChem CID126574772
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H18FN3O3S/c1-20-18(23)8-9-22-26(24,25)14-5-2-12(3-6-14)16-11-21-17-10-13(19)4-7-15(16)17/h2-7,10-11,21-22H,8-9H2,1H3,(H,20,23)
InChIKeyAONHZBQGVYQNPG-UHFFFAOYSA-N
XLogP2.39
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-(2-(5-fluoro-1H-indol-3-yl)ethyl)acetamide
CID 699127
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
N-benzenesulfonylgramine antagonist, 8
CID 11723168

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide (CID 126574772) is 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide?
The InChIKey is AONHZBQGVYQNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-20-18(23)8-9-22-26(24,25)14-5-2-12(3-6-14)16-11-21-17-10-13(19)4-7-15(16)17/h2-7,10-11,21-22H,8-9H2,1H3,(H,20,23).
What are the key properties of 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide?
3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide has a molecular weight of 375.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 126574772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).