4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide

C19H24N6O3S — CID 70792973

IUPAC4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide
SMILESCN1NNN=C1c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N6O3S/c1-19(2,3)29(27,28)22-16-11-7-14(8-12-16)18(26)20-15-9-5-13(6-10-15)17-21-23-24-25(17)4/h5-12,22-24H,1-4H3,(H,20,26)
InChIKeyHZKYCNISQWCYIU-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.10
Rot. Bonds5

About 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide

4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide (PubChem CID 70792973) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide
PubChem CID70792973
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide
SMILESCN1NNN=C1c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H24N6O3S/c1-19(2,3)29(27,28)22-16-11-7-14(8-12-16)18(26)20-15-9-5-13(6-10-15)17-21-23-24-25(17)4/h5-12,22-24H,1-4H3,(H,20,26)
InChIKeyHZKYCNISQWCYIU-UHFFFAOYSA-N
XLogP2.10
TPSA114.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide (CID 70792973) is 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide is CN1NNN=C1c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide?
The InChIKey is HZKYCNISQWCYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-19(2,3)29(27,28)22-16-11-7-14(8-12-16)18(26)20-15-9-5-13(6-10-15)17-21-23-24-25(17)4/h5-12,22-24H,1-4H3,(H,20,26).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide?
4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide has a molecular weight of 416.51 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 70792973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).