N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide

C16H23N5O4S — CID 137499940

IUPACN-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCO)ccc1-c1nnn(CC2CCCCO2)n1
InChIInChI=1S/C16H23N5O4S/c1-12-10-14(26(23,24)17-7-8-22)5-6-15(12)16-18-20-21(19-16)11-13-4-2-3-9-25-13/h5-6,10,13,17,22H,2-4,7-9,11H2,1H3
InChIKeyBZHUMMLRNOCUEB-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.49
Rot. Bonds7

About N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide

N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499940) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID137499940
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC NameN-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCO)ccc1-c1nnn(CC2CCCCO2)n1
InChIInChI=1S/C16H23N5O4S/c1-12-10-14(26(23,24)17-7-8-22)5-6-15(12)16-18-20-21(19-16)11-13-4-2-3-9-25-13/h5-6,10,13,17,22H,2-4,7-9,11H2,1H3
InChIKeyBZHUMMLRNOCUEB-UHFFFAOYSA-N
XLogP0.49
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,6-difluoro-N-(2-hydroxyethyl)-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499842
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2987091
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
2-[(3-bromo-4-methylphenyl)sulfonylmethyl]oxane
CID 145425719
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
N,2-dimethyl-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 7477477
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570270
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570267

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 137499940) is N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCO)ccc1-c1nnn(CC2CCCCO2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is BZHUMMLRNOCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-12-10-14(26(23,24)17-7-8-22)5-6-15(12)16-18-20-21(19-16)11-13-4-2-3-9-25-13/h5-6,10,13,17,22H,2-4,7-9,11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).