(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone

C17H16FN3O3S — CID 10522586

IUPAC(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C17H16FN3O3S/c1-10(2)25(23,24)21-15-9-12(5-8-14(15)20-17(21)19)16(22)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H2,19,20)
InChIKeyKNBKEUGXYCFXJV-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.57
Rot. Bonds4

About (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone

(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone (PubChem CID 10522586) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone
PubChem CID10522586
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C17H16FN3O3S/c1-10(2)25(23,24)21-15-9-12(5-8-14(15)20-17(21)19)16(22)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H2,19,20)
InChIKeyKNBKEUGXYCFXJV-UHFFFAOYSA-N
XLogP2.57
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone (CID 10522586) is (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone is CC(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone?
The InChIKey is KNBKEUGXYCFXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-10(2)25(23,24)21-15-9-12(5-8-14(15)20-17(21)19)16(22)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H2,19,20).
What are the key properties of (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone?
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone has a molecular weight of 361.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 10522586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).