3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide

C13H22N2O3S — CID 107197609

IUPAC3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCCCO)cc1N
InChIInChI=1S/C13H22N2O3S/c1-11-6-7-12(10-13(11)14)19(17,18)15(2)8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,14H2,1-2H3
InChIKeyGINHINSREGNXSK-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.36
Rot. Bonds7

About 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide

3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 107197609) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
PubChem CID107197609
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCCCO)cc1N
InChIInChI=1S/C13H22N2O3S/c1-11-6-7-12(10-13(11)14)19(17,18)15(2)8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,14H2,1-2H3
InChIKeyGINHINSREGNXSK-UHFFFAOYSA-N
XLogP1.36
TPSA83.63 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 ≤ 51.36
H-Bond Donors ≤ 52
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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Related Compounds

2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
CID 107197606
3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656600
4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230037
4-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199767
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
5-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198947
3-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199759
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide (CID 107197609) is 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCCCCO)cc1N.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is GINHINSREGNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11-6-7-12(10-13(11)14)19(17,18)15(2)8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,14H2,1-2H3.
What are the key properties of 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide?
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 107197609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).