N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide

C17H21NO3S — CID 113098177

IUPACN-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H21NO3S/c1-13-7-8-14(2)17(11-13)22(19,20)18-10-9-15-5-4-6-16(12-15)21-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyPHCBHQNKNSEGBX-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide

N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113098177) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113098177
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H21NO3S/c1-13-7-8-14(2)17(11-13)22(19,20)18-10-9-15-5-4-6-16(12-15)21-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyPHCBHQNKNSEGBX-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 86943047
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245
N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55915793
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283394
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]-1-phenylpyrazole-4-sulfonamide
CID 42344985
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide (CID 113098177) is N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide is COc1cccc(CCNS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is PHCBHQNKNSEGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-7-8-14(2)17(11-13)22(19,20)18-10-9-15-5-4-6-16(12-15)21-3/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113098177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).