4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide

C13H21N3O4S — CID 103838120

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H21N3O4S/c1-13(18,9-16(2)3)8-15-21(19,20)11-6-4-10(5-7-11)12(14)17/h4-7,15,18H,8-9H2,1-3H3,(H2,14,17)
InChIKeyGHCWWIHDEPKXED-UHFFFAOYSA-N
MW315.39 g/mol
LogP-0.62
Rot. Bonds7

About 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide (PubChem CID 103838120) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
PubChem CID103838120
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H21N3O4S/c1-13(18,9-16(2)3)8-15-21(19,20)11-6-4-10(5-7-11)12(14)17/h4-7,15,18H,8-9H2,1-3H3,(H2,14,17)
InChIKeyGHCWWIHDEPKXED-UHFFFAOYSA-N
XLogP-0.62
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide
CID 106145672
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103838219
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140315
5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415
5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
CID 106142997
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,4-difluorobenzenesulfonamide
CID 103838114
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide (CID 103838120) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide is CN(C)CC(C)(O)CNS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide?
The InChIKey is GHCWWIHDEPKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-13(18,9-16(2)3)8-15-21(19,20)11-6-4-10(5-7-11)12(14)17/h4-7,15,18H,8-9H2,1-3H3,(H2,14,17).
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide has a molecular weight of 315.39 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide is sourced from PubChem (CID 103838120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).