N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide

C19H18ClN3O5S — CID 53132773

IUPACN-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C19H18ClN3O5S/c1-12-2-3-13(20)10-16(12)22-29(25,26)14-4-5-17-15(11-14)18(21-28-17)19(24)23-6-8-27-9-7-23/h2-5,10-11,22H,6-9H2,1H3
InChIKeyRTXMOWRXEPZYAY-UHFFFAOYSA-N
MW435.89 g/mol
LogP3.06
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide

N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide (PubChem CID 53132773) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide
PubChem CID53132773
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C19H18ClN3O5S/c1-12-2-3-13(20)10-16(12)22-29(25,26)14-4-5-17-15(11-14)18(21-28-17)19(24)23-6-8-27-9-7-23/h2-5,10-11,22H,6-9H2,1H3
InChIKeyRTXMOWRXEPZYAY-UHFFFAOYSA-N
XLogP3.06
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide (CID 53132773) is N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide?
The InChIKey is RTXMOWRXEPZYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-12-2-3-13(20)10-16(12)22-29(25,26)14-4-5-17-15(11-14)18(21-28-17)19(24)23-6-8-27-9-7-23/h2-5,10-11,22H,6-9H2,1H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide?
N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide has a molecular weight of 435.89 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide is sourced from PubChem (CID 53132773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).