N-tert-butyl-N-(methoxymethyl)benzenesulfonamide

C12H19NO3S — CID 69186977

IUPACN-tert-butyl-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)13(10-16-4)17(14,15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyJNKNERXJPAXPJL-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.08
Rot. Bonds4

About N-tert-butyl-N-(methoxymethyl)benzenesulfonamide

N-tert-butyl-N-(methoxymethyl)benzenesulfonamide (PubChem CID 69186977) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-tert-butyl-N-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-(methoxymethyl)benzenesulfonamide
PubChem CID69186977
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-tert-butyl-N-(methoxymethyl)benzenesulfonamide
SMILESCOCN(C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)13(10-16-4)17(14,15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyJNKNERXJPAXPJL-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
N-methoxy-N-phenylbenzenesulfonamide
CID 10801496
N-[(2S)-3-methoxy-2-methyl-2-phenylpropyl]-N-methylbenzenesulfonamide
CID 90322547
N-methoxy-N-(trifluoromethyl)benzenesulfonamide
CID 13351208
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide
CID 70331751
N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide
CID 134840619
2-[benzenesulfonyl(methyl)amino]-2-methylpropanoic acid
CID 62818706
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-dipropylbenzenesulfonamide
CID 4053954
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-N-(methoxymethyl)benzenesulfonamide (CID 69186977) is N-tert-butyl-N-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-N-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-N-(methoxymethyl)benzenesulfonamide is COCN(C(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-N-(methoxymethyl)benzenesulfonamide?
The InChIKey is JNKNERXJPAXPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,3)13(10-16-4)17(14,15)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of N-tert-butyl-N-(methoxymethyl)benzenesulfonamide?
N-tert-butyl-N-(methoxymethyl)benzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 69186977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).