5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide

C14H23BrN2O2S — CID 114364538

IUPAC5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)N(C)CCC(C)C)c1Br
InChIInChI=1S/C14H23BrN2O2S/c1-10(2)5-6-17(4)20(18,19)13-8-12(9-16)7-11(3)14(13)15/h7-8,10H,5-6,9,16H2,1-4H3
InChIKeyFNNYCNWVAZFGKA-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.88
Rot. Bonds6

About 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide

5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 114364538) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID114364538
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Name5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)N(C)CCC(C)C)c1Br
InChIInChI=1S/C14H23BrN2O2S/c1-10(2)5-6-17(4)20(18,19)13-8-12(9-16)7-11(3)14(13)15/h7-8,10H,5-6,9,16H2,1-4H3
InChIKeyFNNYCNWVAZFGKA-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-bromo-N-ethyl-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114364129
5-(aminomethyl)-2-bromo-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055720
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-phenylbenzenesulfonamide
CID 114363791
3-bromo-5-(hydroxymethyl)-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 81488572
2-bromo-5-(chloromethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 114363680
5-(aminomethyl)-2-bromo-3-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 114363734
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 114364238
2-bromo-5-(hydroxymethyl)-N,3-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 114362999
5-(aminomethyl)-2-bromo-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106063379
2,4-dimethyl-5-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60950087
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide (CID 114364538) is 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide is Cc1cc(CN)cc(S(=O)(=O)N(C)CCC(C)C)c1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is FNNYCNWVAZFGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-10(2)5-6-17(4)20(18,19)13-8-12(9-16)7-11(3)14(13)15/h7-8,10H,5-6,9,16H2,1-4H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 363.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 114364538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).