N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide

C14H19N5O3S — CID 86854844

IUPACN-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H19N5O3S/c1-18(10-13-6-2-3-8-22-13)23(20,21)14-7-4-5-12(9-14)19-11-15-16-17-19/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3
InChIKeyKBXCKJQNUMCLPP-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide

N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 86854844) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID86854844
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H19N5O3S/c1-18(10-13-6-2-3-8-22-13)23(20,21)14-7-4-5-12(9-14)19-11-15-16-17-19/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3
InChIKeyKBXCKJQNUMCLPP-UHFFFAOYSA-N
XLogP0.85
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 47814417
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854839
2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51126990
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide (CID 86854844) is N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide is CN(CC1CCCCO1)S(=O)(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is KBXCKJQNUMCLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-18(10-13-6-2-3-8-22-13)23(20,21)14-7-4-5-12(9-14)19-11-15-16-17-19/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide?
N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 337.41 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 86854844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).