4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide

C13H22N2O3S — CID 106037908

IUPAC4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H22N2O3S/c1-11(2)15(3)10-4-9-14-19(17,18)13-7-5-12(16)6-8-13/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyWAMUDSILDOHSJO-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.40
Rot. Bonds7

About 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide

4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide (PubChem CID 106037908) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
PubChem CID106037908
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H22N2O3S/c1-11(2)15(3)10-4-9-14-19(17,18)13-7-5-12(16)6-8-13/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyWAMUDSILDOHSJO-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.40
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-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
3-amino-4-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034450
3-amino-4-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034348
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide (CID 106037908) is 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide is CC(C)N(C)CCCNS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The InChIKey is WAMUDSILDOHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(2)15(3)10-4-9-14-19(17,18)13-7-5-12(16)6-8-13/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide is sourced from PubChem (CID 106037908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).