4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

C19H24ClN3O4S — CID 53195563

IUPAC4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)ccc1Cl
InChIInChI=1S/C19H24ClN3O4S/c1-12-6-8-23(9-7-12)19(24)18-14(3)27-17(22-18)11-21-28(25,26)15-4-5-16(20)13(2)10-15/h4-5,10,12,21H,6-9,11H2,1-3H3
InChIKeyONSDGGSVYRQQTN-UHFFFAOYSA-N
MW425.94 g/mol
LogP3.30
Rot. Bonds5

About 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (PubChem CID 53195563) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
PubChem CID53195563
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)ccc1Cl
InChIInChI=1S/C19H24ClN3O4S/c1-12-6-8-23(9-7-12)19(24)18-14(3)27-17(22-18)11-21-28(25,26)15-4-5-16(20)13(2)10-15/h4-5,10,12,21H,6-9,11H2,1-3H3
InChIKeyONSDGGSVYRQQTN-UHFFFAOYSA-N
XLogP3.30
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (CID 53195563) is 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is ONSDGGSVYRQQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-12-6-8-23(9-7-12)19(24)18-14(3)27-17(22-18)11-21-28(25,26)15-4-5-16(20)13(2)10-15/h4-5,10,12,21H,6-9,11H2,1-3H3.
What are the key properties of 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53195563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).