N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide

C19H12ClFN2O3S — CID 146733141

IUPACN-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3o2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN2O3S/c20-13-3-10-17-18(11-13)26-19(22-17)12-1-6-15(7-2-12)23-27(24,25)16-8-4-14(21)5-9-16/h1-11,23H
InChIKeyRIOJLKMVQYZDQP-UHFFFAOYSA-N
MW402.83 g/mol
LogP5.09
Rot. Bonds4

About N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide

N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 146733141) has the molecular formula C19H12ClFN2O3S and a molecular weight of 402.83 g/mol. Its IUPAC name is N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID146733141
Molecular FormulaC19H12ClFN2O3S
Molecular Weight402.83 g/mol
Exact Mass402.02
IUPAC NameN-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3o2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN2O3S/c20-13-3-10-17-18(11-13)26-19(22-17)12-1-6-15(7-2-12)23-27(24,25)16-8-4-14(21)5-9-16/h1-11,23H
InChIKeyRIOJLKMVQYZDQP-UHFFFAOYSA-N
XLogP5.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.83
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide
CID 155559479
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide
CID 155560132
4-amino-N-[4-[5-[(4-aminophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134146721
2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
CID 81433846
5-[[4-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]-2-chlorobenzoic acid
CID 58937205
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
5-fluoro-2-methoxy-N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 164615909
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
CID 1205346
4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
CID 142716097

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide (CID 146733141) is N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3o2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is RIOJLKMVQYZDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O3S/c20-13-3-10-17-18(11-13)26-19(22-17)12-1-6-15(7-2-12)23-27(24,25)16-8-4-14(21)5-9-16/h1-11,23H.
What are the key properties of N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 402.83 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 146733141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).