4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide

C10H16N2O3S — CID 43453851

IUPAC4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCO)cc1
InChIInChI=1S/C10H16N2O3S/c1-11-16(14,15)10-5-3-9(4-6-10)12-7-2-8-13/h3-6,11-13H,2,7-8H2,1H3
InChIKeySMNLZXOBVGAVPI-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.39
Rot. Bonds6

About 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide

4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide (PubChem CID 43453851) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
PubChem CID43453851
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCO)cc1
InChIInChI=1S/C10H16N2O3S/c1-11-16(14,15)10-5-3-9(4-6-10)12-7-2-8-13/h3-6,11-13H,2,7-8H2,1H3
InChIKeySMNLZXOBVGAVPI-UHFFFAOYSA-N
XLogP0.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765
4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
CID 43383354
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
tert-butyl N-[3-[4-(methylsulfamoyl)anilino]propyl]carbamate
CID 103821850
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide (CID 43453851) is 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCCO)cc1.
What is the InChIKey of 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide?
The InChIKey is SMNLZXOBVGAVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-11-16(14,15)10-5-3-9(4-6-10)12-7-2-8-13/h3-6,11-13H,2,7-8H2,1H3.
What are the key properties of 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide?
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43453851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).