N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide

C19H13BrN2O3S — CID 2275559

IUPACN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccccc1
InChIInChI=1S/C19H13BrN2O3S/c20-16-9-5-4-8-15(16)19-21-17-12-13(10-11-18(17)25-19)22-26(23,24)14-6-2-1-3-7-14/h1-12,22H
InChIKeyXVRCQDCQNUAFFU-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.06
Rot. Bonds4

About N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide (PubChem CID 2275559) has the molecular formula C19H13BrN2O3S and a molecular weight of 429.30 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
PubChem CID2275559
Molecular FormulaC19H13BrN2O3S
Molecular Weight429.30 g/mol
Exact Mass427.98
IUPAC NameN-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccccc1
InChIInChI=1S/C19H13BrN2O3S/c20-16-9-5-4-8-15(16)19-21-17-12-13(10-11-18(17)25-19)22-26(23,24)14-6-2-1-3-7-14/h1-12,22H
InChIKeyXVRCQDCQNUAFFU-UHFFFAOYSA-N
XLogP5.06
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
4-amino-N-[4-[5-[(4-aminophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134146721
1-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-3-chloropropan-2-ol
CID 168638674
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 155526717
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 1048657
3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
CID 155511738
3-nitro-N-[4-[5-[(3-nitrophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134141423
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 17117177
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 2274949

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide (CID 2275559) is N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccccc1.
What is the InChIKey of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide?
The InChIKey is XVRCQDCQNUAFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O3S/c20-16-9-5-4-8-15(16)19-21-17-12-13(10-11-18(17)25-19)22-26(23,24)14-6-2-1-3-7-14/h1-12,22H.
What are the key properties of N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide?
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide has a molecular weight of 429.30 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 2275559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).