2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide

C14H23BrN2O2S — CID 114363935

IUPAC2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCNCc1cc(C)c(Br)c(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H23BrN2O2S/c1-6-16-9-12-7-11(4)14(15)13(8-12)20(18,19)17(5)10(2)3/h7-8,10,16H,6,9H2,1-5H3
InChIKeyNVEQNPXNOPOXBT-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.90
Rot. Bonds6

About 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide

2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 114363935) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID114363935
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Name2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCCNCc1cc(C)c(Br)c(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H23BrN2O2S/c1-6-16-9-12-7-11(4)14(15)13(8-12)20(18,19)17(5)10(2)3/h7-8,10,16H,6,9H2,1-5H3
InChIKeyNVEQNPXNOPOXBT-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114365770
2-bromo-N-butan-2-yl-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364120
2-bromo-5-(ethylaminomethyl)-3-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030105
2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide
CID 106032235
2-bromo-N-(1-methoxypropan-2-yl)-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364602
2-bromo-5-(hydroxymethyl)-N,3-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 114362999
2-bromo-5-(ethylaminomethyl)-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031579
2-bromo-N,N-diethyl-3-methyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 114363768
2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentylbenzenesulfonamide
CID 106058377
2-bromo-3-methyl-5-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 114364095
2-bromo-3-methyl-N-propan-2-yl-5-(propylaminomethyl)benzenesulfonamide
CID 114364335
2-bromo-N,3-dimethyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylbenzenesulfonamide
CID 114365624

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide (CID 114363935) is 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide is CCNCc1cc(C)c(Br)c(S(=O)(=O)N(C)C(C)C)c1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NVEQNPXNOPOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-6-16-9-12-7-11(4)14(15)13(8-12)20(18,19)17(5)10(2)3/h7-8,10,16H,6,9H2,1-5H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide?
2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 363.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 114363935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).