2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide

C12H20N2O3S — CID 43383470

IUPAC2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCNc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H20N2O3S/c1-10(2)14-18(15,16)12-7-5-4-6-11(12)13-8-9-17-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyUGQIOYHJJHQZPJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.43
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide

2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 43383470) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID43383470
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCNc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H20N2O3S/c1-10(2)14-18(15,16)12-7-5-4-6-11(12)13-8-9-17-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyUGQIOYHJJHQZPJ-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
CID 64603296
4-(2-methoxyethylamino)-3-(1-phenylethylsulfamoyl)benzoic acid
CID 132656810
4-(2-methoxyethylamino)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid
CID 99979186
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide (CID 43383470) is 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide is COCCNc1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UGQIOYHJJHQZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)14-18(15,16)12-7-5-4-6-11(12)13-8-9-17-3/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide?
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43383470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).