4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

C12H20N2O3S — CID 62663524

IUPAC4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(C)C)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)13-8-9-14-18(15,16)12-6-4-11(17-3)5-7-12/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyYQUNHMJZJXRLPS-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.97
Rot. Bonds7

About 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 62663524) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID62663524
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(C)C)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)13-8-9-14-18(15,16)12-6-4-11(17-3)5-7-12/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyYQUNHMJZJXRLPS-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663707
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (CID 62663524) is 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCNC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is YQUNHMJZJXRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)13-8-9-14-18(15,16)12-6-4-11(17-3)5-7-12/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62663524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).