2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide

C17H15N3O3S — CID 110791145

IUPAC2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
SMILESCc1nc2ccc(CCNS(=O)(=O)c3ccccc3C#N)cc2o1
InChIInChI=1S/C17H15N3O3S/c1-12-20-15-7-6-13(10-16(15)23-12)8-9-19-24(21,22)17-5-3-2-4-14(17)11-18/h2-7,10,19H,8-9H2,1H3
InChIKeySJZOZMMGYHLHFM-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.53
Rot. Bonds5

About 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide

2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide (PubChem CID 110791145) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
PubChem CID110791145
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
SMILESCc1nc2ccc(CCNS(=O)(=O)c3ccccc3C#N)cc2o1
InChIInChI=1S/C17H15N3O3S/c1-12-20-15-7-6-13(10-16(15)23-12)8-9-19-24(21,22)17-5-3-2-4-14(17)11-18/h2-7,10,19H,8-9H2,1H3
InChIKeySJZOZMMGYHLHFM-UHFFFAOYSA-N
XLogP2.53
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110791137
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
CID 3764247
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
N-(2-cyanophenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765336
2-[2-(2-methyl-1,3-benzoxazol-6-yl)ethylamino]ethanethiol
CID 115224265
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide (CID 110791145) is 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide is Cc1nc2ccc(CCNS(=O)(=O)c3ccccc3C#N)cc2o1.
What is the InChIKey of 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide?
The InChIKey is SJZOZMMGYHLHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-12-20-15-7-6-13(10-16(15)23-12)8-9-19-24(21,22)17-5-3-2-4-14(17)11-18/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide?
2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110791145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).