N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide

C19H13IN2O3S — CID 1362301

IUPACN-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccccc1
InChIInChI=1S/C19H13IN2O3S/c20-14-8-6-13(7-9-14)19-21-17-12-15(10-11-18(17)25-19)22-26(23,24)16-4-2-1-3-5-16/h1-12,22H
InChIKeyWMMXZAXTOHBOLY-UHFFFAOYSA-N
MW476.30 g/mol
LogP4.90
Rot. Bonds4

About N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide

N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide (PubChem CID 1362301) has the molecular formula C19H13IN2O3S and a molecular weight of 476.30 g/mol. Its IUPAC name is N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
PubChem CID1362301
Molecular FormulaC19H13IN2O3S
Molecular Weight476.30 g/mol
Exact Mass475.97
IUPAC NameN-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccccc1
InChIInChI=1S/C19H13IN2O3S/c20-14-8-6-13(7-9-14)19-21-17-12-15(10-11-18(17)25-19)22-26(23,24)16-4-2-1-3-5-16/h1-12,22H
InChIKeyWMMXZAXTOHBOLY-UHFFFAOYSA-N
XLogP4.90
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.30
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-[5-[(4-aminophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134146721
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]benzenesulfonamide
CID 2275559
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
2-(trifluoromethyl)-N-[4-[5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134133803
N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 155526717
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide
CID 155560132
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide
CID 155559479
5-fluoro-2-methoxy-N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 164615909
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
CID 17092623
N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
CID 91682505

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide (CID 1362301) is N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccccc1.
What is the InChIKey of N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide?
The InChIKey is WMMXZAXTOHBOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN2O3S/c20-14-8-6-13(7-9-14)19-21-17-12-15(10-11-18(17)25-19)22-26(23,24)16-4-2-1-3-5-16/h1-12,22H.
What are the key properties of N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide?
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide has a molecular weight of 476.30 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 1362301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).