1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide

C10H12BrF3N2O2S — CID 106090013

IUPAC1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H12BrF3N2O2S/c1-6(5-15)19(17,18)16-9-4-7(10(12,13)14)2-3-8(9)11/h2-4,6,16H,5,15H2,1H3
InChIKeyBVSHIGRYGICUBX-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.56
Rot. Bonds4

About 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide

1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide (PubChem CID 106090013) has the molecular formula C10H12BrF3N2O2S and a molecular weight of 361.18 g/mol. Its IUPAC name is 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
PubChem CID106090013
Molecular FormulaC10H12BrF3N2O2S
Molecular Weight361.18 g/mol
Exact Mass359.98
IUPAC Name1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(CN)S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H12BrF3N2O2S/c1-6(5-15)19(17,18)16-9-4-7(10(12,13)14)2-3-8(9)11/h2-4,6,16H,5,15H2,1H3
InChIKeyBVSHIGRYGICUBX-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1-phenylmethanesulfonamide
CID 884918
(E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide
CID 71745138
N-(2-bromo-5-cyanophenyl)methanesulfonamide
CID 66834104
1-(4-bromophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 17741354
N-(4-bromo-3-(trifluoromethyl)phenyl)methanesulfonamide
CID 3734435
N-(3-Bromo-5-(trifluoromethyl)phenyl)ethanesulfonamide
CID 3764025
2-bromo-5-[[(E)-2-(2,4-difluorophenyl)ethenyl]sulfonylmethyl]aniline
CID 11326675
5-[(E)-2-[(4-bromophenyl)methylsulfonyl]ethenyl]-2-fluoroaniline
CID 11440110
2-(methylamino)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 54974654
Ethanesulfonamide,N-[(1R)-1-(4-bromophenyl)ethyl]-2,2,2-trifluoro-
CID 58764038
Propane-1-sulfonic acid (3-bromomethyl-2,4-difluoro-phenyl)-amide
CID 59418481
N-[2-bromo-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 59430904

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The IUPAC name of 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide (CID 106090013) is 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide is CC(CN)S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The InChIKey is BVSHIGRYGICUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2O2S/c1-6(5-15)19(17,18)16-9-4-7(10(12,13)14)2-3-8(9)11/h2-4,6,16H,5,15H2,1H3.
What are the key properties of 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide?
1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide has a molecular weight of 361.18 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 106090013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).