N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide

C21H21NO4S — CID 22204397

IUPACN-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1
InChIInChI=1S/C21H21NO4S/c1-25-18-12-13-21(20(15-18)26-2)27(23,24)22-19-11-7-6-10-17(19)14-16-8-4-3-5-9-16/h3-13,15,22H,14H2,1-2H3
InChIKeyCQKVDSIIGYKGTC-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.10
Rot. Bonds7

About N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide

N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 22204397) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID22204397
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1
InChIInChI=1S/C21H21NO4S/c1-25-18-12-13-21(20(15-18)26-2)27(23,24)22-19-11-7-6-10-17(19)14-16-8-4-3-5-9-16/h3-13,15,22H,14H2,1-2H3
InChIKeyCQKVDSIIGYKGTC-UHFFFAOYSA-N
XLogP4.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2441935
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992756
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide (CID 22204397) is N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is CQKVDSIIGYKGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-25-18-12-13-21(20(15-18)26-2)27(23,24)22-19-11-7-6-10-17(19)14-16-8-4-3-5-9-16/h3-13,15,22H,14H2,1-2H3.
What are the key properties of N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide?
N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22204397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).