5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C16H25NO4S — CID 850067

IUPAC5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H25NO4S/c1-16(2,3)12-7-8-14(20-4)15(10-12)22(18,19)17-11-13-6-5-9-21-13/h7-8,10,13,17H,5-6,9,11H2,1-4H3/t13-/m1/s1
InChIKeyXTOMKWRSACMWSI-CYBMUJFWSA-N
MW327.45 g/mol
LogP2.45
Rot. Bonds5

About 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 850067) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID850067
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H25NO4S/c1-16(2,3)12-7-8-14(20-4)15(10-12)22(18,19)17-11-13-6-5-9-21-13/h7-8,10,13,17H,5-6,9,11H2,1-4H3/t13-/m1/s1
InChIKeyXTOMKWRSACMWSI-CYBMUJFWSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100829062
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 92870386
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991399
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 850067) is 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC[C@H]1CCCO1.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is XTOMKWRSACMWSI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-16(2,3)12-7-8-14(20-4)15(10-12)22(18,19)17-11-13-6-5-9-21-13/h7-8,10,13,17H,5-6,9,11H2,1-4H3/t13-/m1/s1.
What are the key properties of 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 850067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).