2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide

C14H13N3O3S — CID 110760524

IUPAC2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)NCc3cccnc3)ccc2o1
InChIInChI=1S/C14H13N3O3S/c1-10-17-13-7-12(4-5-14(13)20-10)21(18,19)16-9-11-3-2-6-15-8-11/h2-8,16H,9H2,1H3
InChIKeyBWFIJYRHSKTDLL-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.01
Rot. Bonds4

About 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide

2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760524) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
PubChem CID110760524
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)NCc3cccnc3)ccc2o1
InChIInChI=1S/C14H13N3O3S/c1-10-17-13-7-12(4-5-14(13)20-10)21(18,19)16-9-11-3-2-6-15-8-11/h2-8,16H,9H2,1H3
InChIKeyBWFIJYRHSKTDLL-UHFFFAOYSA-N
XLogP2.01
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
3-acetyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786455
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760529
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
CID 110785208
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 100553515
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
4-(2-bromoethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide (CID 110760524) is 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)NCc3cccnc3)ccc2o1.
What is the InChIKey of 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide?
The InChIKey is BWFIJYRHSKTDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-10-17-13-7-12(4-5-14(13)20-10)21(18,19)16-9-11-3-2-6-15-8-11/h2-8,16H,9H2,1H3.
What are the key properties of 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide?
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).