N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide

C18H23NO3S — CID 4303229

IUPACN-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C18H23NO3S/c1-18(2,3)17-12-15(22-4)11-10-14(17)13-19-23(20,21)16-8-6-5-7-9-16/h5-12,19H,13H2,1-4H3
InChIKeyDODWWFHJRQFQQS-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.47
Rot. Bonds5

About N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide

N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 4303229) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID4303229
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C18H23NO3S/c1-18(2,3)17-12-15(22-4)11-10-14(17)13-19-23(20,21)16-8-6-5-7-9-16/h5-12,19H,13H2,1-4H3
InChIKeyDODWWFHJRQFQQS-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfonyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 57430693
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
CID 110416248
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide (CID 4303229) is N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is DODWWFHJRQFQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-18(2,3)17-12-15(22-4)11-10-14(17)13-19-23(20,21)16-8-6-5-7-9-16/h5-12,19H,13H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide?
N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 4303229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).