N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide

C18H16FN3O4S — CID 29136353

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccc(F)cc32)cc1
InChIInChI=1S/C18H16FN3O4S/c1-12(23)21-27(25,26)16-6-4-15(5-7-16)20-18(24)11-22-9-8-13-2-3-14(19)10-17(13)22/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyKYWKLEUVQRORGX-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.24
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide

N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide (PubChem CID 29136353) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide
PubChem CID29136353
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccc(F)cc32)cc1
InChIInChI=1S/C18H16FN3O4S/c1-12(23)21-27(25,26)16-6-4-15(5-7-16)20-18(24)11-22-9-8-13-2-3-14(19)10-17(13)22/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyKYWKLEUVQRORGX-UHFFFAOYSA-N
XLogP2.24
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 4786491
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide
CID 25044330
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide
CID 84553115
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide (CID 29136353) is N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccc(F)cc32)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide?
The InChIKey is KYWKLEUVQRORGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-12(23)21-27(25,26)16-6-4-15(5-7-16)20-18(24)11-22-9-8-13-2-3-14(19)10-17(13)22/h2-10H,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide has a molecular weight of 389.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide is sourced from PubChem (CID 29136353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).