5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide

C14H24N2O3S — CID 107150811

IUPAC5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(O)CC(C)C)c1C
InChIInChI=1S/C14H24N2O3S/c1-9(2)5-13(17)8-16-20(18,19)14-7-12(15)6-10(3)11(14)4/h6-7,9,13,16-17H,5,8,15H2,1-4H3
InChIKeyAXIIEIXUQHGMOH-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.57
Rot. Bonds6

About 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 107150811) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
PubChem CID107150811
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(O)CC(C)C)c1C
InChIInChI=1S/C14H24N2O3S/c1-9(2)5-13(17)8-16-20(18,19)14-7-12(15)6-10(3)11(14)4/h6-7,9,13,16-17H,5,8,15H2,1-4H3
InChIKeyAXIIEIXUQHGMOH-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165001
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 113431244
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
CID 107150700
N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
CID 50876433
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
CID 135224228
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,5-dimethylbenzenesulfonamide
CID 79889329
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide (CID 107150811) is 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCC(O)CC(C)C)c1C.
What is the InChIKey of 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is AXIIEIXUQHGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9(2)5-13(17)8-16-20(18,19)14-7-12(15)6-10(3)11(14)4/h6-7,9,13,16-17H,5,8,15H2,1-4H3.
What are the key properties of 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 107150811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).