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

C17H20ClN3O4S — CID 53195435

IUPAC4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCc1nc(C(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C17H20ClN3O4S/c1-11-9-13(18)5-6-14(11)26(23,24)19-10-15-20-16(12(2)25-15)17(22)21-7-3-4-8-21/h5-6,9,19H,3-4,7-8,10H2,1-2H3
InChIKeyRRWLLULFIOTRMS-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.66
Rot. Bonds5

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

4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (PubChem CID 53195435) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
PubChem CID53195435
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCc1nc(C(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C17H20ClN3O4S/c1-11-9-13(18)5-6-14(11)26(23,24)19-10-15-20-16(12(2)25-15)17(22)21-7-3-4-8-21/h5-6,9,19H,3-4,7-8,10H2,1-2H3
InChIKeyRRWLLULFIOTRMS-UHFFFAOYSA-N
XLogP2.66
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (CID 53195435) is 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCc1nc(C(=O)N2CCCC2)c(C)o1.
What is the InChIKey of 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is RRWLLULFIOTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-11-9-13(18)5-6-14(11)26(23,24)19-10-15-20-16(12(2)25-15)17(22)21-7-3-4-8-21/h5-6,9,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 397.88 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53195435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).