N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide

C12H20N2O3S — CID 104762386

IUPACN-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCOC(C)C)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)17-9-8-14-11-4-6-12(7-5-11)18(15,16)13-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyVNNWNCCLRTTWMA-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.43
Rot. Bonds7

About N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide

N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide (PubChem CID 104762386) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
PubChem CID104762386
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCOC(C)C)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)17-9-8-14-11-4-6-12(7-5-11)18(15,16)13-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyVNNWNCCLRTTWMA-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

4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936
4-ethylsulfonyl-N-(2-propan-2-yloxyethyl)aniline
CID 113250557
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
4-iodo-N-(2-propan-2-yloxyethyl)aniline
CID 60679190
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83144551
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282613
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
CID 43383354

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide (CID 104762386) is N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCCOC(C)C)cc1.
What is the InChIKey of N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide?
The InChIKey is VNNWNCCLRTTWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)17-9-8-14-11-4-6-12(7-5-11)18(15,16)13-3/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide?
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide 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 N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide is sourced from PubChem (CID 104762386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).