N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide

C18H20N6O3S — CID 46974468

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H20N6O3S/c1-13-20-21-22-24(13)16-8-6-15(7-9-16)18(25)19-12-14-4-10-17(11-5-14)28(26,27)23(2)3/h4-11H,12H2,1-3H3,(H,19,25)
InChIKeyWXUKZSDGKBSVMZ-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.15
Rot. Bonds6

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide (PubChem CID 46974468) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide
PubChem CID46974468
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H20N6O3S/c1-13-20-21-22-24(13)16-8-6-15(7-9-16)18(25)19-12-14-4-10-17(11-5-14)28(26,27)23(2)3/h4-11H,12H2,1-3H3,(H,19,25)
InChIKeyWXUKZSDGKBSVMZ-UHFFFAOYSA-N
XLogP1.15
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
CID 53370069
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 4825742
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
(3S)-1-[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 51966572
N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
CID 56762738
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide (CID 46974468) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide is Cc1nnnn1-c1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is WXUKZSDGKBSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-13-20-21-22-24(13)16-8-6-15(7-9-16)18(25)19-12-14-4-10-17(11-5-14)28(26,27)23(2)3/h4-11H,12H2,1-3H3,(H,19,25).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 400.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 46974468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).