N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

C13H19ClN2O3S — CID 119988501

IUPACN-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NCC(C)(C)N)cc(Cl)c2O1
InChIInChI=1S/C13H19ClN2O3S/c1-8-4-9-5-10(6-11(14)12(9)19-8)20(17,18)16-7-13(2,3)15/h5-6,8,16H,4,7,15H2,1-3H3
InChIKeyXXBOXVDGCMBCLI-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.68
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 119988501) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID119988501
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)NCC(C)(C)N)cc(Cl)c2O1
InChIInChI=1S/C13H19ClN2O3S/c1-8-4-9-5-10(6-11(14)12(9)19-8)20(17,18)16-7-13(2,3)15/h5-6,8,16H,4,7,15H2,1-3H3
InChIKeyXXBOXVDGCMBCLI-UHFFFAOYSA-N
XLogP1.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119968788
7-chloro-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128995589
(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129327879
7-chloro-2-methyl-N-(4-methylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120722741
7-chloro-2-methyl-N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120724733
N-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 99236419
[1-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]pyrrolidin-3-yl]methanamine
CID 119972287
1-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazine;hydrochloride
CID 119961912
3-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonylamino]-4-piperidin-1-ylbenzamide
CID 95772750
ethyl 2-[[(3S)-4-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]morpholine-3-carbonyl]amino]acetate
CID 98857279
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 75431033

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 119988501) is N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1Cc2cc(S(=O)(=O)NCC(C)(C)N)cc(Cl)c2O1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is XXBOXVDGCMBCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8-4-9-5-10(6-11(14)12(9)19-8)20(17,18)16-7-13(2,3)15/h5-6,8,16H,4,7,15H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 119988501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).