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

C19H13FN2O3S — CID 155560132

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H13FN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H
InChIKeyHAQMQDDWVQZFKC-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.43
Rot. Bonds4

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 155560132) has the molecular formula C19H13FN2O3S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID155560132
Molecular FormulaC19H13FN2O3S
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H13FN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H
InChIKeyHAQMQDDWVQZFKC-UHFFFAOYSA-N
XLogP4.43
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.43
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
5-[[4-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]-2-chlorobenzoic acid
CID 58937205
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 146733141
3-nitro-N-[4-[5-[(3-nitrophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134141423
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23101518
4-amino-N-[4-[5-[(4-aminophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134146721
2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 171056538
2-(trifluoromethyl)-N-[4-[5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134133803
5-fluoro-2-methoxy-N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 164615909
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide (CID 155560132) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is HAQMQDDWVQZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3S/c20-14-4-3-5-16(12-14)26(23,24)22-15-10-8-13(9-11-15)19-21-17-6-1-2-7-18(17)25-19/h1-12,22H.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 368.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 155560132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).