N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H11F2N3O3S2 — CID 7586520

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)cc2[nH]1
InChIInChI=1S/C14H11F2N3O3S2/c15-13(16)23-9-3-1-8(2-4-9)19-24(21,22)10-5-6-11-12(7-10)18-14(20)17-11/h1-7,13,19H,(H2,17,18,20)
InChIKeyULUKOUWFBJTCBV-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.97
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 7586520) has the molecular formula C14H11F2N3O3S2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID7586520
Molecular FormulaC14H11F2N3O3S2
Molecular Weight371.39 g/mol
Exact Mass371.02
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)cc2[nH]1
InChIInChI=1S/C14H11F2N3O3S2/c15-13(16)23-9-3-1-8(2-4-9)19-24(21,22)10-5-6-11-12(7-10)18-14(20)17-11/h1-7,13,19H,(H2,17,18,20)
InChIKeyULUKOUWFBJTCBV-UHFFFAOYSA-N
XLogP2.97
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
CID 1051878
N-[4-(difluoromethylsulfanyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3508970
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 4178720
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
N-(2,6-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777082
N-(4-bromophenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 37165193
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate
CID 41117958
2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110420138
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 24818331

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 7586520) is N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)cc2[nH]1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is ULUKOUWFBJTCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3S2/c15-13(16)23-9-3-1-8(2-4-9)19-24(21,22)10-5-6-11-12(7-10)18-14(20)17-11/h1-7,13,19H,(H2,17,18,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 371.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7586520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).