N-tert-butyl-2-methoxybenzenesulfonamide

C11H17NO3S — CID 23448664

IUPACN-tert-butyl-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H17NO3S/c1-11(2,3)12-16(13,14)10-8-6-5-7-9(10)15-4/h5-8,12H,1-4H3
InChIKeyUMMUVXGEWVKCCZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.77
Rot. Bonds3

About N-tert-butyl-2-methoxybenzenesulfonamide

N-tert-butyl-2-methoxybenzenesulfonamide (PubChem CID 23448664) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-tert-butyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxybenzenesulfonamide
PubChem CID23448664
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-tert-butyl-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H17NO3S/c1-11(2,3)12-16(13,14)10-8-6-5-7-9(10)15-4/h5-8,12H,1-4H3
InChIKeyUMMUVXGEWVKCCZ-UHFFFAOYSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715039
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-tert-butyl-2-methoxybenzenesulfonamide (CID 23448664) is N-tert-butyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxybenzenesulfonamide?
The InChIKey is UMMUVXGEWVKCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,3)12-16(13,14)10-8-6-5-7-9(10)15-4/h5-8,12H,1-4H3.
What are the key properties of N-tert-butyl-2-methoxybenzenesulfonamide?
N-tert-butyl-2-methoxybenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 23448664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).