(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

C16H13BrClF3N2O3S — CID 124551745

IUPAC(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13BrClF3N2O3S/c1-9(23-27(25,26)12-5-3-11(17)4-6-12)15(24)22-14-8-10(16(19,20)21)2-7-13(14)18/h2-9,23H,1H3,(H,22,24)/t9-/m1/s1
InChIKeyWFQFQOUZQXPSRQ-SECBINFHSA-N
MW485.71 g/mol
LogP4.43
Rot. Bonds5

About (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 124551745) has the molecular formula C16H13BrClF3N2O3S and a molecular weight of 485.71 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
PubChem CID124551745
Molecular FormulaC16H13BrClF3N2O3S
Molecular Weight485.71 g/mol
Exact Mass483.95
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13BrClF3N2O3S/c1-9(23-27(25,26)12-5-3-11(17)4-6-12)15(24)22-14-8-10(16(19,20)21)2-7-13(14)18/h2-9,23H,1H3,(H,22,24)/t9-/m1/s1
InChIKeyWFQFQOUZQXPSRQ-SECBINFHSA-N
XLogP4.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.71
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 28549157
1-[1-(4-bromophenyl)ethyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 3379513
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41329496
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
1-(4-bromophenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17300332
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 39393327
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 1254747

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (CID 124551745) is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WFQFQOUZQXPSRQ-SECBINFHSA-N. The full InChI is InChI=1S/C16H13BrClF3N2O3S/c1-9(23-27(25,26)12-5-3-11(17)4-6-12)15(24)22-14-8-10(16(19,20)21)2-7-13(14)18/h2-9,23H,1H3,(H,22,24)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 485.71 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 124551745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).