N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide

C18H23NO3S — CID 11508246

IUPACN-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1
InChIInChI=1S/C18H23NO3S/c1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)23(21,22)19-13-3-2-4-14-20/h5-12,19-20H,2-4,13-14H2,1H3
InChIKeyJGKVCTDTDQLIIN-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.10
Rot. Bonds8

About N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide

N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide (PubChem CID 11508246) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide
PubChem CID11508246
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1
InChIInChI=1S/C18H23NO3S/c1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)23(21,22)19-13-3-2-4-14-20/h5-12,19-20H,2-4,13-14H2,1H3
InChIKeyJGKVCTDTDQLIIN-UHFFFAOYSA-N
XLogP3.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide (CID 11508246) is N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NCCCCCO)cc2)cc1.
What is the InChIKey of N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide?
The InChIKey is JGKVCTDTDQLIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)23(21,22)19-13-3-2-4-14-20/h5-12,19-20H,2-4,13-14H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide?
N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-4-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 11508246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).