1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole

C10H13ClN6O2S — CID 18565856

IUPAC1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole
SMILESCN(C)S(=O)(=O)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN6O2S/c1-16(2)20(18,19)12-7-10-13-14-15-17(10)9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyFIXGWGBOZFMGRV-UHFFFAOYSA-N
MW316.77 g/mol
LogP0.21
Rot. Bonds5

About 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole

1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole (PubChem CID 18565856) has the molecular formula C10H13ClN6O2S and a molecular weight of 316.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole
PubChem CID18565856
Molecular FormulaC10H13ClN6O2S
Molecular Weight316.77 g/mol
Exact Mass316.05
IUPAC Name1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole
SMILESCN(C)S(=O)(=O)NCc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN6O2S/c1-16(2)20(18,19)12-7-10-13-14-15-17(10)9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyFIXGWGBOZFMGRV-UHFFFAOYSA-N
XLogP0.21
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole (CID 18565856) is 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole is CN(C)S(=O)(=O)NCc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole?
The InChIKey is FIXGWGBOZFMGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2S/c1-16(2)20(18,19)12-7-10-13-14-15-17(10)9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole?
1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole has a molecular weight of 316.77 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]tetrazole is sourced from PubChem (CID 18565856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).