5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide

C16H14ClNO3S2 — CID 60542376

IUPAC5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1cccc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO3S2/c17-15-8-9-16(22-15)23(19,20)18-10-11-21-14-7-3-5-12-4-1-2-6-13(12)14/h1-9,18H,10-11H2
InChIKeyKDCSTETVQDZIJQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.91
Rot. Bonds6

About 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide

5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide (PubChem CID 60542376) has the molecular formula C16H14ClNO3S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide
PubChem CID60542376
Molecular FormulaC16H14ClNO3S2
Molecular Weight367.88 g/mol
Exact Mass367.01
IUPAC Name5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1cccc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO3S2/c17-15-8-9-16(22-15)23(19,20)18-10-11-21-14-7-3-5-12-4-1-2-6-13(12)14/h1-9,18H,10-11H2
InChIKeyKDCSTETVQDZIJQ-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
CID 4916594
5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101998
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
CID 41247027
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
5-chloro-N-[2-(phenylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110601348
N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide
CID 71889809
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
N-(2-naphthalen-1-yloxyethyl)morpholine-4-sulfonamide
CID 71939103
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide (CID 60542376) is 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide is O=S(=O)(NCCOc1cccc2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide?
The InChIKey is KDCSTETVQDZIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S2/c17-15-8-9-16(22-15)23(19,20)18-10-11-21-14-7-3-5-12-4-1-2-6-13(12)14/h1-9,18H,10-11H2.
What are the key properties of 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide?
5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide has a molecular weight of 367.88 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 60542376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).