(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide

C10H13BrN2O3S — CID 41330953

IUPAC(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O3S/c1-7(10(14)12-2)13-17(15,16)9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyFFTJKZDQTPUJHA-SSDOTTSWSA-N
MW321.20 g/mol
LogP0.86
Rot. Bonds4

About (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 41330953) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID41330953
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O3S/c1-7(10(14)12-2)13-17(15,16)9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyFFTJKZDQTPUJHA-SSDOTTSWSA-N
XLogP0.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61465790
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
CID 40746707
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
CID 61464585
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 3660205
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide (CID 41330953) is (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is FFTJKZDQTPUJHA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-7(10(14)12-2)13-17(15,16)9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide?
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 321.20 g/mol, XLogP of 0.86, 4 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-methylpropanamide is sourced from PubChem (CID 41330953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).