3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide

C17H26N2O4S — CID 91156616

IUPAC3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(O)(CC(C)(C)C)C(=O)N2C(C)C
InChIInChI=1S/C17H26N2O4S/c1-11(2)19-14-8-7-12(24(22,23)18-6)9-13(14)17(21,15(19)20)10-16(3,4)5/h7-9,11,18,21H,10H2,1-6H3
InChIKeyYZVXRLZPUYWGEW-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.97
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide

3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide (PubChem CID 91156616) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide
PubChem CID91156616
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(O)(CC(C)(C)C)C(=O)N2C(C)C
InChIInChI=1S/C17H26N2O4S/c1-11(2)19-14-8-7-12(24(22,23)18-6)9-13(14)17(21,15(19)20)10-16(3,4)5/h7-9,11,18,21H,10H2,1-6H3
InChIKeyYZVXRLZPUYWGEW-UHFFFAOYSA-N
XLogP1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171786914
3-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 134204060
2-(3-methylbutylamino)-5-(methylsulfamoyl)benzoic acid
CID 45319790
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
4-(3-chloro-4-fluorophenyl)-N,2,2-trimethyl-3-oxo-1,4-benzoxazine-7-sulfonamide
CID 66789880
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83144551

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide (CID 91156616) is 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(O)(CC(C)(C)C)C(=O)N2C(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide?
The InChIKey is YZVXRLZPUYWGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-11(2)19-14-8-7-12(24(22,23)18-6)9-13(14)17(21,15(19)20)10-16(3,4)5/h7-9,11,18,21H,10H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide?
3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide is sourced from PubChem (CID 91156616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).