(2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide

C12H16BrClN2O3S — CID 8800862

IUPAC(2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c1-3-6-15-12(17)8(2)16-20(18,19)11-5-4-9(13)7-10(11)14/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKeyCHFPBYZTDUURFH-QMMMGPOBSA-N
MW383.70 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide

(2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 8800862) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID8800862
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name(2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O3S/c1-3-6-15-12(17)8(2)16-20(18,19)11-5-4-9(13)7-10(11)14/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKeyCHFPBYZTDUURFH-QMMMGPOBSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide (CID 8800862) is (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is CHFPBYZTDUURFH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c1-3-6-15-12(17)8(2)16-20(18,19)11-5-4-9(13)7-10(11)14/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide?
(2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 383.70 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 8800862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).