2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide

C10H16N2O3S — CID 43452537

IUPAC2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCCO
InChIInChI=1S/C10H16N2O3S/c1-8-4-2-5-9(11)10(8)16(14,15)12-6-3-7-13/h2,4-5,12-13H,3,6-7,11H2,1H3
InChIKeyOUXDOLXUWQOUBL-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.24
Rot. Bonds5

About 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide

2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide (PubChem CID 43452537) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide
PubChem CID43452537
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCCO
InChIInChI=1S/C10H16N2O3S/c1-8-4-2-5-9(11)10(8)16(14,15)12-6-3-7-13/h2,4-5,12-13H,3,6-7,11H2,1H3
InChIKeyOUXDOLXUWQOUBL-UHFFFAOYSA-N
XLogP0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide (CID 43452537) is 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCCCO.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide?
The InChIKey is OUXDOLXUWQOUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8-4-2-5-9(11)10(8)16(14,15)12-6-3-7-13/h2,4-5,12-13H,3,6-7,11H2,1H3.
What are the key properties of 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide?
2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).