N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide

C13H21NO4S — CID 8891740

IUPACN-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO4S/c1-4-5-8-19(15,16)14-10-11-6-7-12(17-2)13(9-11)18-3/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeyFCWNEGKOSQZEKS-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.92
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide (PubChem CID 8891740) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
PubChem CID8891740
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO4S/c1-4-5-8-19(15,16)14-10-11-6-7-12(17-2)13(9-11)18-3/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeyFCWNEGKOSQZEKS-UHFFFAOYSA-N
XLogP1.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
CID 43246908
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
CID 110781946
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 110787616
N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
CID 47371248
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butane-1-sulfonamide
CID 61456383
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1-sulfonamide
CID 47371399

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide (CID 8891740) is N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide?
The InChIKey is FCWNEGKOSQZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-4-5-8-19(15,16)14-10-11-6-7-12(17-2)13(9-11)18-3/h6-7,9,14H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 8891740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).