N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide

C15H13ClN2O3S — CID 110760517

IUPACN-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2o1
InChIInChI=1S/C15H13ClN2O3S/c1-10-18-14-8-12(6-7-15(14)21-10)22(19,20)17-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3
InChIKeyOIWLQKMMKSHOCQ-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.27
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide

N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760517) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
PubChem CID110760517
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2o1
InChIInChI=1S/C15H13ClN2O3S/c1-10-18-14-8-12(6-7-15(14)21-10)22(19,20)17-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3
InChIKeyOIWLQKMMKSHOCQ-UHFFFAOYSA-N
XLogP3.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760529
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 4319489
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
CID 110785208
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide (CID 110760517) is N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is OIWLQKMMKSHOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-10-18-14-8-12(6-7-15(14)21-10)22(19,20)17-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide?
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).