5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide

C14H22N2O4S — CID 102945989

IUPAC5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C)CC2CCC2)cc1N
InChIInChI=1S/C14H22N2O4S/c1-16(9-10-5-4-6-10)21(17,18)14-7-11(15)12(19-2)8-13(14)20-3/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyFXFRRFNTOKUSCF-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.71
Rot. Bonds6

About 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide

5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 102945989) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
PubChem CID102945989
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C)CC2CCC2)cc1N
InChIInChI=1S/C14H22N2O4S/c1-16(9-10-5-4-6-10)21(17,18)14-7-11(15)12(19-2)8-13(14)20-3/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyFXFRRFNTOKUSCF-UHFFFAOYSA-N
XLogP1.71
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102704246
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614
2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
CID 60985638
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
methyl 4-amino-2-[cyclobutylmethyl(methyl)sulfamoyl]benzoate
CID 102931206
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
3-amino-N-(cyclopropylmethyl)-N,2,5-trimethylbenzenesulfonamide
CID 79889318
4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 55125659
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide (CID 102945989) is 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)N(C)CC2CCC2)cc1N.
What is the InChIKey of 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is FXFRRFNTOKUSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-16(9-10-5-4-6-10)21(17,18)14-7-11(15)12(19-2)8-13(14)20-3/h7-8,10H,4-6,9,15H2,1-3H3.
What are the key properties of 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide?
5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 102945989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).