3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide

C24H19N5O4S — CID 10479978

IUPAC3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc3nonc23)c1
InChIInChI=1S/C24H19N5O4S/c1-14-5-6-16(24(30)26-18-8-9-18)12-19(14)15-7-10-21-17(11-15)13-25-29(21)34(31,32)22-4-2-3-20-23(22)28-33-27-20/h2-7,10-13,18H,8-9H2,1H3,(H,26,30)
InChIKeyUPSWODPTCRVSCY-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.68
Rot. Bonds5

About 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 10479978) has the molecular formula C24H19N5O4S and a molecular weight of 473.51 g/mol. Its IUPAC name is 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID10479978
Molecular FormulaC24H19N5O4S
Molecular Weight473.51 g/mol
Exact Mass473.12
IUPAC Name3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc3nonc23)c1
InChIInChI=1S/C24H19N5O4S/c1-14-5-6-16(24(30)26-18-8-9-18)12-19(14)15-7-10-21-17(11-15)13-25-29(21)34(31,32)22-4-2-3-20-23(22)28-33-27-20/h2-7,10-13,18H,8-9H2,1H3,(H,26,30)
InChIKeyUPSWODPTCRVSCY-UHFFFAOYSA-N
XLogP3.68
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide (CID 10479978) is 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc3nonc23)c1.
What is the InChIKey of 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is UPSWODPTCRVSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4S/c1-14-5-6-16(24(30)26-18-8-9-18)12-19(14)15-7-10-21-17(11-15)13-25-29(21)34(31,32)22-4-2-3-20-23(22)28-33-27-20/h2-7,10-13,18H,8-9H2,1H3,(H,26,30).
What are the key properties of 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 473.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 10479978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).