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

C19H14N2O3S — CID 648231

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1
InChIInChI=1S/C19H14N2O3S/c22-25(23,16-6-2-1-3-7-16)21-15-12-10-14(11-13-15)19-20-17-8-4-5-9-18(17)24-19/h1-13,21H
InChIKeyAKSLAHQXECQZQB-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.30
Rot. Bonds4

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 648231) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID648231
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1
InChIInChI=1S/C19H14N2O3S/c22-25(23,16-6-2-1-3-7-16)21-15-12-10-14(11-13-15)19-20-17-8-4-5-9-18(17)24-19/h1-13,21H
InChIKeyAKSLAHQXECQZQB-UHFFFAOYSA-N
XLogP4.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide (CID 648231) is N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is AKSLAHQXECQZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-25(23,16-6-2-1-3-7-16)21-15-12-10-14(11-13-15)19-20-17-8-4-5-9-18(17)24-19/h1-13,21H.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 4.30, 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]benzenesulfonamide is sourced from PubChem (CID 648231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).