1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide

C25H25FN4O3S — CID 135236248

IUPAC1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide
SMILESCNS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cccc(C(C)(C)c4ccc(F)cc4)c3)c2c1
InChIInChI=1S/C25H25FN4O3S/c1-25(2,17-8-10-19(26)11-9-17)18-5-4-6-21(14-18)30-22-15-20(29-34(32,33)28-3)12-7-16(22)13-23(30)24(27)31/h4-15,28-29H,1-3H3,(H2,27,31)
InChIKeyOKPCRKAGTWRKJB-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.07
Rot. Bonds7

About 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide

1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide (PubChem CID 135236248) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide
PubChem CID135236248
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC Name1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide
SMILESCNS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cccc(C(C)(C)c4ccc(F)cc4)c3)c2c1
InChIInChI=1S/C25H25FN4O3S/c1-25(2,17-8-10-19(26)11-9-17)18-5-4-6-21(14-18)30-22-15-20(29-34(32,33)28-3)12-7-16(22)13-23(30)24(27)31/h4-15,28-29H,1-3H3,(H2,27,31)
InChIKeyOKPCRKAGTWRKJB-UHFFFAOYSA-N
XLogP4.07
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide (CID 135236248) is 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide is CNS(=O)(=O)Nc1ccc2cc(C(N)=O)n(-c3cccc(C(C)(C)c4ccc(F)cc4)c3)c2c1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide?
The InChIKey is OKPCRKAGTWRKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c1-25(2,17-8-10-19(26)11-9-17)18-5-4-6-21(14-18)30-22-15-20(29-34(32,33)28-3)12-7-16(22)13-23(30)24(27)31/h4-15,28-29H,1-3H3,(H2,27,31).
What are the key properties of 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide?
1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)propan-2-yl]phenyl]-6-(methylsulfamoylamino)indole-2-carboxamide is sourced from PubChem (CID 135236248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).