N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide

C12H19BrN2O2S — CID 114141749

IUPACN-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)C(C)CNC
InChIInChI=1S/C12H19BrN2O2S/c1-4-10-7-11(13)5-6-12(10)15-18(16,17)9(2)8-14-3/h5-7,9,14-15H,4,8H2,1-3H3
InChIKeyRNRLYVIOHPFLSW-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.36
Rot. Bonds6

About N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide

N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 114141749) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID114141749
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC NameN-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)C(C)CNC
InChIInChI=1S/C12H19BrN2O2S/c1-4-10-7-11(13)5-6-12(10)15-18(16,17)9(2)8-14-3/h5-7,9,14-15H,4,8H2,1-3H3
InChIKeyRNRLYVIOHPFLSW-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
CID 81291679
N-(5-bromo-2-chlorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106056724
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106073390
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466685
N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide (CID 114141749) is N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)C(C)CNC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is RNRLYVIOHPFLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-4-10-7-11(13)5-6-12(10)15-18(16,17)9(2)8-14-3/h5-7,9,14-15H,4,8H2,1-3H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide?
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 114141749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).