3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide

C16H14Cl2N2O3S — CID 84563223

IUPAC3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCC(C)c1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2o1
InChIInChI=1S/C16H14Cl2N2O3S/c1-9(2)16-19-14-6-3-10(7-15(14)23-16)20-24(21,22)11-4-5-12(17)13(18)8-11/h3-9,20H,1-2H3
InChIKeyLBVIDBNYQJGWAM-UHFFFAOYSA-N
MW385.27 g/mol
LogP5.06
Rot. Bonds4

About 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide

3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 84563223) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID84563223
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCC(C)c1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2o1
InChIInChI=1S/C16H14Cl2N2O3S/c1-9(2)16-19-14-6-3-10(7-15(14)23-16)20-24(21,22)11-4-5-12(17)13(18)8-11/h3-9,20H,1-2H3
InChIKeyLBVIDBNYQJGWAM-UHFFFAOYSA-N
XLogP5.06
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.27
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84562589
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 84563760
2,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563253
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide
CID 155559479
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide
CID 2743187
N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
CID 112980530
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 84563223) is 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide is CC(C)c1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2o1.
What is the InChIKey of 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is LBVIDBNYQJGWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-9(2)16-19-14-6-3-10(7-15(14)23-16)20-24(21,22)11-4-5-12(17)13(18)8-11/h3-9,20H,1-2H3.
What are the key properties of 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide?
3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 385.27 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 3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 84563223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).