4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide

C11H18N2O4S — CID 81438341

IUPAC4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)(C)CO)ccc1N
InChIInChI=1S/C11H18N2O4S/c1-11(2,7-14)13-18(15,16)8-4-5-9(12)10(6-8)17-3/h4-6,13-14H,7,12H2,1-3H3
InChIKeySCFMFUXFJJHBAY-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.33
Rot. Bonds5

About 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide

4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide (PubChem CID 81438341) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
PubChem CID81438341
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)(C)CO)ccc1N
InChIInChI=1S/C11H18N2O4S/c1-11(2,7-14)13-18(15,16)8-4-5-9(12)10(6-8)17-3/h4-6,13-14H,7,12H2,1-3H3
InChIKeySCFMFUXFJJHBAY-UHFFFAOYSA-N
XLogP0.33
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-hydroxy-2-methylpentyl)-3-methoxybenzenesulfonamide
CID 106289688
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974809
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498666
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzenesulfonamide
CID 43501815
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxybenzenesulfonamide
CID 115454056
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 1154512
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide (CID 81438341) is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC(C)(C)CO)ccc1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide?
The InChIKey is SCFMFUXFJJHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-11(2,7-14)13-18(15,16)8-4-5-9(12)10(6-8)17-3/h4-6,13-14H,7,12H2,1-3H3.
What are the key properties of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide?
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81438341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).