5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide

C14H21NO3S — CID 110757527

IUPAC5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H21NO3S/c1-14(2,3)10-5-8-12(18-4)13(9-10)19(16,17)15-11-6-7-11/h5,8-9,11,15H,6-7H2,1-4H3
InChIKeyAKLCJQGYBAFOQE-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.43
Rot. Bonds4

About 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide

5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide (PubChem CID 110757527) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
PubChem CID110757527
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H21NO3S/c1-14(2,3)10-5-8-12(18-4)13(9-10)19(16,17)15-11-6-7-11/h5,8-9,11,15H,6-7H2,1-4H3
InChIKeyAKLCJQGYBAFOQE-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
5-tert-butyl-N-cyclobutyl-2-propoxybenzenesulfonamide
CID 172893941
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide (CID 110757527) is 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide is COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide?
The InChIKey is AKLCJQGYBAFOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-14(2,3)10-5-8-12(18-4)13(9-10)19(16,17)15-11-6-7-11/h5,8-9,11,15H,6-7H2,1-4H3.
What are the key properties of 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide?
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110757527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).