N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide

C14H20N2O4S — CID 97239979

IUPACN-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
SMILESCN(C)C[C@](C)(O)CNS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H20N2O4S/c1-14(17,10-16(2)3)9-15-21(18,19)13-8-11-6-4-5-7-12(11)20-13/h4-8,15,17H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyQYMOLHBLKPGXHB-CQSZACIVSA-N
MW312.39 g/mol
LogP1.02
Rot. Bonds6

About N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide

N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide (PubChem CID 97239979) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
PubChem CID97239979
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
SMILESCN(C)C[C@](C)(O)CNS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H20N2O4S/c1-14(17,10-16(2)3)9-15-21(18,19)13-8-11-6-4-5-7-12(11)20-13/h4-8,15,17H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyQYMOLHBLKPGXHB-CQSZACIVSA-N
XLogP1.02
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
CID 75387478
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide
CID 154864109
5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176
3-(1-benzofuran-2-ylsulfonylamino)-3-cyclobutylbutanoic acid
CID 167903150
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103838219
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide
CID 86803128
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100000000

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide (CID 97239979) is N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide is CN(C)C[C@](C)(O)CNS(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide?
The InChIKey is QYMOLHBLKPGXHB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-14(17,10-16(2)3)9-15-21(18,19)13-8-11-6-4-5-7-12(11)20-13/h4-8,15,17H,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide?
N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 97239979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).