N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide

C14H20N6O3S — CID 46262720

IUPACN,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C14H20N6O3S/c1-18(2)24(21,22)19-9-7-14(8-10-19)23-13-5-3-12(4-6-13)20-11-15-16-17-20/h3-6,11,14H,7-10H2,1-2H3
InChIKeyYQICDULDFFJTCQ-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.31
Rot. Bonds5

About N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide

N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide (PubChem CID 46262720) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide
PubChem CID46262720
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC NameN,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C14H20N6O3S/c1-18(2)24(21,22)19-9-7-14(8-10-19)23-13-5-3-12(4-6-13)20-11-15-16-17-20/h3-6,11,14H,7-10H2,1-2H3
InChIKeyYQICDULDFFJTCQ-UHFFFAOYSA-N
XLogP0.31
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide (CID 46262720) is N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Oc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide?
The InChIKey is YQICDULDFFJTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-18(2)24(21,22)19-9-7-14(8-10-19)23-13-5-3-12(4-6-13)20-11-15-16-17-20/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide?
N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide is sourced from PubChem (CID 46262720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).