4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

C20H21FN6O3S — CID 55780608

IUPAC4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H21FN6O3S/c1-14-5-7-16(27-13-22-24-25-27)12-18(14)23-20(28)15-6-8-17(21)19(11-15)31(29,30)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10H2,1H3,(H,23,28)
InChIKeyIENLZIIAOZAKJO-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.54
Rot. Bonds5

About 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55780608) has the molecular formula C20H21FN6O3S and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55780608
Molecular FormulaC20H21FN6O3S
Molecular Weight444.49 g/mol
Exact Mass444.14
IUPAC Name4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H21FN6O3S/c1-14-5-7-16(27-13-22-24-25-27)12-18(14)23-20(28)15-6-8-17(21)19(11-15)31(29,30)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10H2,1H3,(H,23,28)
InChIKeyIENLZIIAOZAKJO-UHFFFAOYSA-N
XLogP2.54
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26864762
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
N-(4-bromo-2-methylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46450377
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55992374
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-(4-chloro-2-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9003684
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647835

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55780608) is 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IENLZIIAOZAKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3S/c1-14-5-7-16(27-13-22-24-25-27)12-18(14)23-20(28)15-6-8-17(21)19(11-15)31(29,30)26-9-3-2-4-10-26/h5-8,11-13H,2-4,9-10H2,1H3,(H,23,28).
What are the key properties of 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 444.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55780608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).