N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide

C16H15N3O3S — CID 167904396

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3cnc4c(c3)CCC4)cc2o1
InChIInChI=1S/C16H15N3O3S/c1-10-18-15-6-5-13(8-16(15)22-10)23(20,21)19-12-7-11-3-2-4-14(11)17-9-12/h5-9,19H,2-4H2,1H3
InChIKeyYGZZLKUQEPLRNQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.82
Rot. Bonds3

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide (PubChem CID 167904396) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide
PubChem CID167904396
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3cnc4c(c3)CCC4)cc2o1
InChIInChI=1S/C16H15N3O3S/c1-10-18-15-6-5-13(8-16(15)22-10)23(20,21)19-12-7-11-3-2-4-14(11)17-9-12/h5-9,19H,2-4H2,1H3
InChIKeyYGZZLKUQEPLRNQ-UHFFFAOYSA-N
XLogP2.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-oxo-1,2-dihydroindene-5-sulfonamide
CID 154865387
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890
2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759877
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
2-methyl-N-(3-methylbutyl)-1,3-benzoxazole-6-sulfonamide
CID 46374849
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759694
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide (CID 167904396) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide is Cc1nc2ccc(S(=O)(=O)Nc3cnc4c(c3)CCC4)cc2o1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide?
The InChIKey is YGZZLKUQEPLRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-18-15-6-5-13(8-16(15)22-10)23(20,21)19-12-7-11-3-2-4-14(11)17-9-12/h5-9,19H,2-4H2,1H3.
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 167904396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).