N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide

C24H29N5O3S — CID 653445

IUPACN-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)CC1
InChIInChI=1S/C24H29N5O3S/c1-17-6-11-23-22(16-17)26-27-29(23)20-12-14-28(15-13-20)33(31,32)21-9-7-18(8-10-21)24(30)25-19-4-2-3-5-19/h6-11,16,19-20H,2-5,12-15H2,1H3,(H,25,30)
InChIKeyVDTPKWFIQHZNCF-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.44
Rot. Bonds5

About N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide

N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 653445) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide
PubChem CID653445
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)CC1
InChIInChI=1S/C24H29N5O3S/c1-17-6-11-23-22(16-17)26-27-29(23)20-12-14-28(15-13-20)33(31,32)21-9-7-18(8-10-21)24(30)25-19-4-2-3-5-19/h6-11,16,19-20H,2-5,12-15H2,1H3,(H,25,30)
InChIKeyVDTPKWFIQHZNCF-UHFFFAOYSA-N
XLogP3.44
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide (CID 653445) is N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide is Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)CC1.
What is the InChIKey of N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is VDTPKWFIQHZNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-17-6-11-23-22(16-17)26-27-29(23)20-12-14-28(15-13-20)33(31,32)21-9-7-18(8-10-21)24(30)25-19-4-2-3-5-19/h6-11,16,19-20H,2-5,12-15H2,1H3,(H,25,30).
What are the key properties of N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide?
N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 467.60 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 653445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).