4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide

C14H19F2N7O2S — CID 30858568

IUPAC4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H19F2N7O2S/c1-20(2)26(24,25)22-7-5-21(6-8-22)10-14-17-18-19-23(14)11-3-4-12(15)13(16)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyPZVSZNZVSHIGOW-UHFFFAOYSA-N
MW387.42 g/mol
LogP-0.14
Rot. Bonds5

About 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 30858568) has the molecular formula C14H19F2N7O2S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID30858568
Molecular FormulaC14H19F2N7O2S
Molecular Weight387.42 g/mol
Exact Mass387.13
IUPAC Name4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H19F2N7O2S/c1-20(2)26(24,25)22-7-5-21(6-8-22)10-14-17-18-19-23(14)11-3-4-12(15)13(16)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyPZVSZNZVSHIGOW-UHFFFAOYSA-N
XLogP-0.14
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 30858568) is 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is PZVSZNZVSHIGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N7O2S/c1-20(2)26(24,25)22-7-5-21(6-8-22)10-14-17-18-19-23(14)11-3-4-12(15)13(16)9-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 387.42 g/mol, XLogP of -0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 30858568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).