4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide

C11H18N2O4S — CID 104551002

IUPAC4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C(C)CO)ccc1N
InChIInChI=1S/C11H18N2O4S/c1-8(7-14)13(2)18(15,16)9-4-5-10(12)11(6-9)17-3/h4-6,8,14H,7,12H2,1-3H3
InChIKeyVESMOGBRSQKAPX-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.28
Rot. Bonds5

About 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide

4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide (PubChem CID 104551002) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
PubChem CID104551002
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C(C)CO)ccc1N
InChIInChI=1S/C11H18N2O4S/c1-8(7-14)13(2)18(15,16)9-4-5-10(12)11(6-9)17-3/h4-6,8,14H,7,12H2,1-3H3
InChIKeyVESMOGBRSQKAPX-UHFFFAOYSA-N
XLogP0.28
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 104550970
4-amino-N-butan-2-yl-N-ethyl-3-methoxybenzenesulfonamide
CID 81438339
N-(1-hydroxypropan-2-yl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 115776368
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 81438560
3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569766
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 81441653
N-(1-aminopropan-2-yl)-3-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 119982507
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 115776409
4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102695383
2-methoxy-4-propylsulfonylaniline
CID 15153318
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide (CID 104551002) is 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide is COc1cc(S(=O)(=O)N(C)C(C)CO)ccc1N.
What is the InChIKey of 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide?
The InChIKey is VESMOGBRSQKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8(7-14)13(2)18(15,16)9-4-5-10(12)11(6-9)17-3/h4-6,8,14H,7,12H2,1-3H3.
What are the key properties of 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide?
4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 104551002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).