4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide

C18H18N2O3S — CID 110730295

IUPAC4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13(2)23-16-7-9-17(10-8-16)24(21,22)20-15-11-14-5-3-4-6-18(14)19-12-15/h3-13,20H,1-2H3
InChIKeyZFNSFNQKWCCWOP-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.82
Rot. Bonds5

About 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide

4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 110730295) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
PubChem CID110730295
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13(2)23-16-7-9-17(10-8-16)24(21,22)20-15-11-14-5-3-4-6-18(14)19-12-15/h3-13,20H,1-2H3
InChIKeyZFNSFNQKWCCWOP-UHFFFAOYSA-N
XLogP3.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485889
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide
CID 114133809
2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide
CID 3397127
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 84563760
N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide
CID 118521609
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344346

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide (CID 110730295) is 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is ZFNSFNQKWCCWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13(2)23-16-7-9-17(10-8-16)24(21,22)20-15-11-14-5-3-4-6-18(14)19-12-15/h3-13,20H,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide?
4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 110730295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).