N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide

C12H19BrN2O2S — CID 114140099

IUPACN-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-4-14-8-10(3)18(16,17)15-12-6-5-9(2)7-11(12)13/h5-7,10,14-15H,4,8H2,1-3H3
InChIKeyKPCYAWJCLHJJQV-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.50
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide

N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide (PubChem CID 114140099) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
PubChem CID114140099
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC NameN-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C12H19BrN2O2S/c1-4-14-8-10(3)18(16,17)15-12-6-5-9(2)7-11(12)13/h5-7,10,14-15H,4,8H2,1-3H3
InChIKeyKPCYAWJCLHJJQV-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
CID 106058008
N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073470
N-(6-bromonaphthalen-2-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106073055
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086976
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62164065
N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide (CID 114140099) is N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide?
The InChIKey is KPCYAWJCLHJJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-4-14-8-10(3)18(16,17)15-12-6-5-9(2)7-11(12)13/h5-7,10,14-15H,4,8H2,1-3H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide?
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide is sourced from PubChem (CID 114140099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).