N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide

C19H25NO4S — CID 110314900

IUPACN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-14(2)17(15-10-11-18(23-3)19(12-15)24-4)13-20-25(21,22)16-8-6-5-7-9-16/h5-12,14,17,20H,13H2,1-4H3
InChIKeyDJEZWWSULHBGCA-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.42
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide (PubChem CID 110314900) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide
PubChem CID110314900
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-14(2)17(15-10-11-18(23-3)19(12-15)24-4)13-20-25(21,22)16-8-6-5-7-9-16/h5-12,14,17,20H,13H2,1-4H3
InChIKeyDJEZWWSULHBGCA-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-1-phenylmethanesulfonamide
CID 110314905
ethyl 2-(benzenesulfonamido)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 139746749
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
CID 110314862
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
CID 69331280
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide (CID 110314900) is N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide is COc1ccc(C(CNS(=O)(=O)c2ccccc2)C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide?
The InChIKey is DJEZWWSULHBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-14(2)17(15-10-11-18(23-3)19(12-15)24-4)13-20-25(21,22)16-8-6-5-7-9-16/h5-12,14,17,20H,13H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide is sourced from PubChem (CID 110314900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).