N-benzyl-2,4-dimethoxybenzenesulfonamide

C15H17NO4S — CID 17375991

IUPACN-benzyl-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C15H17NO4S/c1-19-13-8-9-15(14(10-13)20-2)21(17,18)16-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
InChIKeyDJINJDNGAIBRCS-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.18
Rot. Bonds6

About N-benzyl-2,4-dimethoxybenzenesulfonamide

N-benzyl-2,4-dimethoxybenzenesulfonamide (PubChem CID 17375991) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-benzyl-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethoxybenzenesulfonamide
PubChem CID17375991
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-benzyl-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C15H17NO4S/c1-19-13-8-9-15(14(10-13)20-2)21(17,18)16-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
InChIKeyDJINJDNGAIBRCS-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782771
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22204397
2,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide
CID 42467413
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-benzyl-2,4-dimethoxybenzenesulfonamide (CID 17375991) is N-benzyl-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2)c(OC)c1.
What is the InChIKey of N-benzyl-2,4-dimethoxybenzenesulfonamide?
The InChIKey is DJINJDNGAIBRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-13-8-9-15(14(10-13)20-2)21(17,18)16-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3.
What are the key properties of N-benzyl-2,4-dimethoxybenzenesulfonamide?
N-benzyl-2,4-dimethoxybenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 17375991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).