N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride

C11H16BrClN2O3S — CID 120713131

IUPACN-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
SMILESC[C@@H](CN)NS(=O)(=O)c1cc(Br)cc2c1OCC2.Cl
InChIInChI=1S/C11H15BrN2O3S.ClH/c1-7(6-13)14-18(15,16)10-5-9(12)4-8-2-3-17-11(8)10;/h4-5,7,14H,2-3,6,13H2,1H3;1H/t7-;/m0./s1
InChIKeyKEPOBZXGOHLWTJ-FJXQXJEOSA-N
MW371.68 g/mol
LogP1.43
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride (PubChem CID 120713131) has the molecular formula C11H16BrClN2O3S and a molecular weight of 371.68 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
PubChem CID120713131
Molecular FormulaC11H16BrClN2O3S
Molecular Weight371.68 g/mol
Exact Mass369.98
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
SMILESC[C@@H](CN)NS(=O)(=O)c1cc(Br)cc2c1OCC2.Cl
InChIInChI=1S/C11H15BrN2O3S.ClH/c1-7(6-13)14-18(15,16)10-5-9(12)4-8-2-3-17-11(8)10;/h4-5,7,14H,2-3,6,13H2,1H3;1H/t7-;/m0./s1
InChIKeyKEPOBZXGOHLWTJ-FJXQXJEOSA-N
XLogP1.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.68
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride with MolForge

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Related Compounds

5-bromo-N-ethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75521928
5-bromo-N-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120708703
N-[2-(aminomethyl)cyclohexyl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 120711177
5-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 120726639
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
5-bromo-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 120707862
6-amino-N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337191
[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120708438
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]piperidin-4-yl]ethanamine
CID 120709093
N-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337224
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride (CID 120713131) is N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride is C[C@@H](CN)NS(=O)(=O)c1cc(Br)cc2c1OCC2.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride?
The InChIKey is KEPOBZXGOHLWTJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H15BrN2O3S.ClH/c1-7(6-13)14-18(15,16)10-5-9(12)4-8-2-3-17-11(8)10;/h4-5,7,14H,2-3,6,13H2,1H3;1H/t7-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride has a molecular weight of 371.68 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride is sourced from PubChem (CID 120713131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).