2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide

C15H23BrN2O2S — CID 114365761

IUPAC2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(CNC)cc(C)c2Br)CCC1
InChIInChI=1S/C15H23BrN2O2S/c1-4-15(6-5-7-15)18-21(19,20)13-9-12(10-17-3)8-11(2)14(13)16/h8-9,17-18H,4-7,10H2,1-3H3
InChIKeyCFSVIHPSNOUJGR-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.09
Rot. Bonds6

About 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide

2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 114365761) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID114365761
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(CNC)cc(C)c2Br)CCC1
InChIInChI=1S/C15H23BrN2O2S/c1-4-15(6-5-7-15)18-21(19,20)13-9-12(10-17-3)8-11(2)14(13)16/h8-9,17-18H,4-7,10H2,1-3H3
InChIKeyCFSVIHPSNOUJGR-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,2-dimethylcyclopropyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364856
N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704737
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
2-bromo-3-methyl-5-(methylaminomethyl)-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 106079464
2-bromo-5-(hydroxymethyl)-3-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 114363214
2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551902
N-(1-ethylcyclobutyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107329174
2-bromo-N-butan-2-yl-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364120
2-bromo-3-methyl-N-propan-2-yl-5-(propylaminomethyl)benzenesulfonamide
CID 114364335
2-bromo-N-(4-methoxybutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106054095
2-bromo-5-[(cyclopropylamino)methyl]-N,3-dimethylbenzenesulfonamide
CID 114364377
2-bromo-N-(cyclobutylmethyl)-5-(ethylaminomethyl)-3-methylbenzenesulfonamide
CID 106024958

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 114365761) is 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide is CCC1(NS(=O)(=O)c2cc(CNC)cc(C)c2Br)CCC1.
What is the InChIKey of 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is CFSVIHPSNOUJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-4-15(6-5-7-15)18-21(19,20)13-9-12(10-17-3)8-11(2)14(13)16/h8-9,17-18H,4-7,10H2,1-3H3.
What are the key properties of 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethylcyclobutyl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 114365761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).