N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide

C15H22N6O3S — CID 52519305

IUPACN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide
SMILESC[C@H]1CN(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H](C)O1
InChIInChI=1S/C15H22N6O3S/c1-12-9-20(10-13(2)24-12)7-6-17-25(22,23)15-5-3-4-14(8-15)21-11-16-18-19-21/h3-5,8,11-13,17H,6-7,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyHNKBQRRTBWRUJQ-STQMWFEESA-N
MW366.45 g/mol
LogP0.05
Rot. Bonds6

About N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 52519305) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID52519305
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide
SMILESC[C@H]1CN(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H](C)O1
InChIInChI=1S/C15H22N6O3S/c1-12-9-20(10-13(2)24-12)7-6-17-25(22,23)15-5-3-4-14(8-15)21-11-16-18-19-21/h3-5,8,11-13,17H,6-7,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyHNKBQRRTBWRUJQ-STQMWFEESA-N
XLogP0.05
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55520974
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854844
N'-[3-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47784702
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55520811
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854839
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86858423
3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43057311
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442053

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide (CID 52519305) is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide is C[C@H]1CN(CCNS(=O)(=O)c2cccc(-n3cnnn3)c2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is HNKBQRRTBWRUJQ-STQMWFEESA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-12-9-20(10-13(2)24-12)7-6-17-25(22,23)15-5-3-4-14(8-15)21-11-16-18-19-21/h3-5,8,11-13,17H,6-7,9-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide?
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 366.45 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 52519305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).