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

C26H33N5O3S — CID 649771

IUPACN-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1
InChIInChI=1S/C26H33N5O3S/c1-19-8-13-25-24(18-19)27-28-31(25)22-14-16-30(17-15-22)35(33,34)23-11-9-20(10-12-23)26(32)29(2)21-6-4-3-5-7-21/h8-13,18,21-22H,3-7,14-17H2,1-2H3
InChIKeyODAXLWOIOUJFPV-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.17
Rot. Bonds5

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

N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 649771) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide
PubChem CID649771
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC NameN-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1
InChIInChI=1S/C26H33N5O3S/c1-19-8-13-25-24(18-19)27-28-31(25)22-14-16-30(17-15-22)35(33,34)23-11-9-20(10-12-23)26(32)29(2)21-6-4-3-5-7-21/h8-13,18,21-22H,3-7,14-17H2,1-2H3
InChIKeyODAXLWOIOUJFPV-UHFFFAOYSA-N
XLogP4.17
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide (CID 649771) is N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide is Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is ODAXLWOIOUJFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-19-8-13-25-24(18-19)27-28-31(25)22-14-16-30(17-15-22)35(33,34)23-11-9-20(10-12-23)26(32)29(2)21-6-4-3-5-7-21/h8-13,18,21-22H,3-7,14-17H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide?
N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 495.65 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 649771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).