4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide

C18H18FN3O3S — CID 140892882

IUPAC4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide
SMILESNC(=O)CCCS(=O)(=O)Nc1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H18FN3O3S/c19-13-5-8-15-16(11-21-17(15)10-13)12-3-6-14(7-4-12)22-26(24,25)9-1-2-18(20)23/h3-8,10-11,21-22H,1-2,9H2,(H2,20,23)
InChIKeyXVXQNAOOOAGMAM-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.98
Rot. Bonds7

About 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide

4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide (PubChem CID 140892882) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide.

Molecular Properties

Compound Name4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide
PubChem CID140892882
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide
SMILESNC(=O)CCCS(=O)(=O)Nc1ccc(-c2c[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C18H18FN3O3S/c19-13-5-8-15-16(11-21-17(15)10-13)12-3-6-14(7-4-12)22-26(24,25)9-1-2-18(20)23/h3-8,10-11,21-22H,1-2,9H2,(H2,20,23)
InChIKeyXVXQNAOOOAGMAM-UHFFFAOYSA-N
XLogP2.98
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide?
The IUPAC name of 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide (CID 140892882) is 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide.
What is the SMILES notation for 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide?
The canonical SMILES for 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide is NC(=O)CCCS(=O)(=O)Nc1ccc(-c2c[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide?
The InChIKey is XVXQNAOOOAGMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-13-5-8-15-16(11-21-17(15)10-13)12-3-6-14(7-4-12)22-26(24,25)9-1-2-18(20)23/h3-8,10-11,21-22H,1-2,9H2,(H2,20,23).
What are the key properties of 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide?
4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide has a molecular weight of 375.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide is sourced from PubChem (CID 140892882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).