N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide

C19H22FN3O3S — CID 10111040

IUPACN-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(F)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-12(2)27(25,26)21-11-19(3,20)15-7-4-13(5-8-15)14-6-9-16-17(10-14)23-18(24)22-16/h4-10,12,21H,11H2,1-3H3,(H2,22,23,24)
InChIKeyDDYVSWJMQJVCPH-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.04
Rot. Bonds6

About N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide

N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide (PubChem CID 10111040) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide
PubChem CID10111040
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(F)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-12(2)27(25,26)21-11-19(3,20)15-7-4-13(5-8-15)14-6-9-16-17(10-14)23-18(24)22-16/h4-10,12,21H,11H2,1-3H3,(H2,22,23,24)
InChIKeyDDYVSWJMQJVCPH-UHFFFAOYSA-N
XLogP3.04
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide (CID 10111040) is N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(C)(F)c1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide?
The InChIKey is DDYVSWJMQJVCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-12(2)27(25,26)21-11-19(3,20)15-7-4-13(5-8-15)14-6-9-16-17(10-14)23-18(24)22-16/h4-10,12,21H,11H2,1-3H3,(H2,22,23,24).
What are the key properties of N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide?
N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide has a molecular weight of 391.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10111040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).