N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide

C16H21NO3S — CID 2968187

IUPACN-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3S/c1-13(2)20-11-5-10-17-21(18,19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13,17H,5,10-11H2,1-2H3
InChIKeyLDFRQWASIJAVMO-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.93
Rot. Bonds7

About N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide

N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide (PubChem CID 2968187) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide
PubChem CID2968187
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO3S/c1-13(2)20-11-5-10-17-21(18,19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13,17H,5,10-11H2,1-2H3
InChIKeyLDFRQWASIJAVMO-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide (CID 2968187) is N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide is CC(C)OCCCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide?
The InChIKey is LDFRQWASIJAVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-13(2)20-11-5-10-17-21(18,19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13,17H,5,10-11H2,1-2H3.
What are the key properties of N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide?
N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2968187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).