3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide

C13H22N2O3S — CID 107197542

IUPAC3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C13H22N2O3S/c1-11-12(14)7-6-8-13(11)19(17,18)15(2)9-4-3-5-10-16/h6-8,16H,3-5,9-10,14H2,1-2H3
InChIKeyGXRLYZXRSOOSFM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.36
Rot. Bonds7

About 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide

3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 107197542) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
PubChem CID107197542
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C13H22N2O3S/c1-11-12(14)7-6-8-13(11)19(17,18)15(2)9-4-3-5-10-16/h6-8,16H,3-5,9-10,14H2,1-2H3
InChIKeyGXRLYZXRSOOSFM-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

3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107197602
2-(aminomethyl)-3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107198959
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 114230029
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641
3-amino-N-(5-hydroxypentyl)-2-methylbenzenesulfonamide
CID 107316310
3-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843457
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230052
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
2-amino-N-(5-hydroxypentyl)-N,3,6-trimethylbenzenesulfonamide
CID 107197606
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide (CID 107197542) is 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)N(C)CCCCCO.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is GXRLYZXRSOOSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11-12(14)7-6-8-13(11)19(17,18)15(2)9-4-3-5-10-16/h6-8,16H,3-5,9-10,14H2,1-2H3.
What are the key properties of 3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide?
3-amino-N-(5-hydroxypentyl)-N,2-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,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 107197542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).