N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide

C11H14BrF3N2O2S — CID 106003246

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H14BrF3N2O2S/c1-7(6-16-2)20(18,19)17-8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,16-17H,6H2,1-2H3
InChIKeyCSUKCTQEGXYFDV-UHFFFAOYSA-N
MW375.21 g/mol
LogP2.82
Rot. Bonds5

About N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide (PubChem CID 106003246) has the molecular formula C11H14BrF3N2O2S and a molecular weight of 375.21 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
PubChem CID106003246
Molecular FormulaC11H14BrF3N2O2S
Molecular Weight375.21 g/mol
Exact Mass373.99
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H14BrF3N2O2S/c1-7(6-16-2)20(18,19)17-8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,16-17H,6H2,1-2H3
InChIKeyCSUKCTQEGXYFDV-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)methanesulfonamide
CID 772005
2-(4-Bromo-3-methylphenyl)isothiazolidine 1,1-dioxide
CID 24698022
N-(4-bromo-3-(trifluoromethyl)phenyl)methanesulfonamide
CID 3734435
N-(3-Bromo-5-(trifluoromethyl)phenyl)ethanesulfonamide
CID 3764025
2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 54974654
N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide
CID 67066531
N-[4-bromo-3-(fluoromethyl)phenyl]methanesulfonamide
CID 90181783
N-(2-Bromo-5-(trifluoromethyl)phenyl)propane-2-sulfonamide
CID 108130078
(2S)-N-[4-bromo-3-(difluoromethyl)-2-fluorophenyl]-1,1,1-trifluorobutane-2-sulfonamide
CID 121303683
N-[4-bromo-3-(difluoromethyl)-2-fluorophenyl]-1,1,1-trifluorobutane-2-sulfonamide
CID 121303685
N-[4-bromo-2-iodo-5-(trifluoromethyl)phenyl]-3,4-dimethylcyclohexa-1,5-diene-1-sulfonamide
CID 144133455
N-[5-(aminomethyl)-4-bromo-2-fluorophenyl]-4-(methylamino)benzenesulfonamide
CID 174599339

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide (CID 106003246) is N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide?
The InChIKey is CSUKCTQEGXYFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O2S/c1-7(6-16-2)20(18,19)17-8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,16-17H,6H2,1-2H3.
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide has a molecular weight of 375.21 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106003246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).