N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C19H19ClN2O4S — CID 91624416

IUPACN-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCCC(O)c3cccc(Cl)c3)cc2)co1
InChIInChI=1S/C19H19ClN2O4S/c1-13-22-18(12-26-13)14-5-7-17(8-6-14)27(24,25)21-10-9-19(23)15-3-2-4-16(20)11-15/h2-8,11-12,19,21,23H,9-10H2,1H3
InChIKeyDNNQJWYVZUMOCP-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 91624416) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID91624416
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC NameN-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCCC(O)c3cccc(Cl)c3)cc2)co1
InChIInChI=1S/C19H19ClN2O4S/c1-13-22-18(12-26-13)14-5-7-17(8-6-14)27(24,25)21-10-9-19(23)15-3-2-4-16(20)11-15/h2-8,11-12,19,21,23H,9-10H2,1H3
InChIKeyDNNQJWYVZUMOCP-UHFFFAOYSA-N
XLogP3.71
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 91624416) is N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCCC(O)c3cccc(Cl)c3)cc2)co1.
What is the InChIKey of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is DNNQJWYVZUMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-13-22-18(12-26-13)14-5-7-17(8-6-14)27(24,25)21-10-9-19(23)15-3-2-4-16(20)11-15/h2-8,11-12,19,21,23H,9-10H2,1H3.
What are the key properties of N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 406.89 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 91624416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).