N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide

C13H20N2O5S2 — CID 166395443

IUPACN-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide
SMILESCC(C)(CNS(C)(=O)=O)NS(=O)(=O)c1cccc2c1COC2
InChIInChI=1S/C13H20N2O5S2/c1-13(2,9-14-21(3,16)17)15-22(18,19)12-6-4-5-10-7-20-8-11(10)12/h4-6,14-15H,7-9H2,1-3H3
InChIKeyCTTYVHJDCDQELF-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.32
Rot. Bonds6

About N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide

N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide (PubChem CID 166395443) has the molecular formula C13H20N2O5S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide
PubChem CID166395443
Molecular FormulaC13H20N2O5S2
Molecular Weight348.45 g/mol
Exact Mass348.08
IUPAC NameN-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide
SMILESCC(C)(CNS(C)(=O)=O)NS(=O)(=O)c1cccc2c1COC2
InChIInChI=1S/C13H20N2O5S2/c1-13(2,9-14-21(3,16)17)15-22(18,19)12-6-4-5-10-7-20-8-11(10)12/h4-6,14-15H,7-9H2,1-3H3
InChIKeyCTTYVHJDCDQELF-UHFFFAOYSA-N
XLogP0.32
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 81245129
N-[2-(methanesulfonamido)-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77008814
3,4-dihydro-1H-isochromene-5-sulfonyl chloride
CID 84696259
3-(1,3-dihydro-2-benzofuran-4-yl)butanal
CID 117281892
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]methanesulfonamide
CID 86870477
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79984386
N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 115684135
6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-sulfonamide
CID 63864494
N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]methanesulfonamide
CID 19377065
2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 167942884

Frequently Asked Questions

What is the IUPAC name of N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide?
The IUPAC name of N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide (CID 166395443) is N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide.
What is the SMILES notation for N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide?
The canonical SMILES for N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide is CC(C)(CNS(C)(=O)=O)NS(=O)(=O)c1cccc2c1COC2.
What is the InChIKey of N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide?
The InChIKey is CTTYVHJDCDQELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S2/c1-13(2,9-14-21(3,16)17)15-22(18,19)12-6-4-5-10-7-20-8-11(10)12/h4-6,14-15H,7-9H2,1-3H3.
What are the key properties of N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide?
N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1,3-dihydro-2-benzofuran-4-sulfonamide is sourced from PubChem (CID 166395443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).