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

C13H21NO3S — CID 106125984

IUPACN-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCCCC(C)O)c1
InChIInChI=1S/C13H21NO3S/c1-10-7-11(2)9-13(8-10)18(16,17)14-6-4-5-12(3)15/h7-9,12,14-15H,4-6H2,1-3H3
InChIKeyJFJPFEKYTMRNSK-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.74
Rot. Bonds6

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

N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 106125984) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
PubChem CID106125984
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCCCC(C)O)c1
InChIInChI=1S/C13H21NO3S/c1-10-7-11(2)9-13(8-10)18(16,17)14-6-4-5-12(3)15/h7-9,12,14-15H,4-6H2,1-3H3
InChIKeyJFJPFEKYTMRNSK-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120527
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
2-chloro-3-fluoro-5-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120518
4-(bromomethyl)-N-(4-hydroxypentyl)benzenesulfonamide
CID 106137487
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
7-[(3,5-dimethylphenyl)sulfonylamino]heptanoic acid
CID 60640044
3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 114145999
3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912060
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
N-(4-hydroxypentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 107271149

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide (CID 106125984) is N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)NCCCC(C)O)c1.
What is the InChIKey of N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is JFJPFEKYTMRNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10-7-11(2)9-13(8-10)18(16,17)14-6-4-5-12(3)15/h7-9,12,14-15H,4-6H2,1-3H3.
What are the key properties of N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide?
N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 106125984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).