N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide

C17H21NO3S — CID 3862587

IUPACN-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H21NO3S/c1-4-13(2)16-7-5-6-8-17(16)18-22(19,20)15-11-9-14(21-3)10-12-15/h5-13,18H,4H2,1-3H3
InChIKeyMJUBEYCZEOELFY-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.01
Rot. Bonds6

About N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide

N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 3862587) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
PubChem CID3862587
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H21NO3S/c1-4-13(2)16-7-5-6-8-17(16)18-22(19,20)15-11-9-14(21-3)10-12-15/h5-13,18H,4H2,1-3H3
InChIKeyMJUBEYCZEOELFY-UHFFFAOYSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
N-[2-[2-(1-hydroxyethyl)phenyl]phenyl]-4-methoxybenzenesulfonamide
CID 69255044
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822857
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide (CID 3862587) is N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide is CCC(C)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is MJUBEYCZEOELFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-13(2)16-7-5-6-8-17(16)18-22(19,20)15-11-9-14(21-3)10-12-15/h5-13,18H,4H2,1-3H3.
What are the key properties of N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide?
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3862587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).