N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide

C16H21NO3S — CID 103858821

IUPACN-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
SMILESCC(CO)CCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21NO3S/c1-13(12-18)6-5-11-17-21(19,20)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13,17-18H,5-6,11-12H2,1H3
InChIKeyDOCKPVQKNDUZCV-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.53
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide

N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide (PubChem CID 103858821) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
PubChem CID103858821
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
SMILESCC(CO)CCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21NO3S/c1-13(12-18)6-5-11-17-21(19,20)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13,17-18H,5-6,11-12H2,1H3
InChIKeyDOCKPVQKNDUZCV-UHFFFAOYSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.53
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

N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
CID 115755317
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(5-hydroxy-4-methylpentyl)-2-methyl-3-nitrobenzenesulfonamide
CID 103858939
N-(5-amino-4-methylpentyl)isoquinoline-5-sulfonamide
CID 106154222
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-(3-chloropentyl)naphthalene-1-sulfonamide
CID 114795706
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide (CID 103858821) is N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide is CC(CO)CCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide?
The InChIKey is DOCKPVQKNDUZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-13(12-18)6-5-11-17-21(19,20)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13,17-18H,5-6,11-12H2,1H3.
What are the key properties of N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide?
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide has a molecular weight of 307.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 103858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).