N-naphthalen-2-ylbutane-1-sulfonamide

C14H17NO2S — CID 22775035

IUPACN-naphthalen-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C14H17NO2S/c1-2-3-10-18(16,17)15-14-9-8-12-6-4-5-7-13(12)11-14/h4-9,11,15H,2-3,10H2,1H3
InChIKeyCAARVTPVBWOQAA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.38
Rot. Bonds5

About N-naphthalen-2-ylbutane-1-sulfonamide

N-naphthalen-2-ylbutane-1-sulfonamide (PubChem CID 22775035) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-naphthalen-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-naphthalen-2-ylbutane-1-sulfonamide
PubChem CID22775035
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-naphthalen-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C14H17NO2S/c1-2-3-10-18(16,17)15-14-9-8-12-6-4-5-7-13(12)11-14/h4-9,11,15H,2-3,10H2,1H3
InChIKeyCAARVTPVBWOQAA-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylbutane-1-sulfonamide?
The IUPAC name of N-naphthalen-2-ylbutane-1-sulfonamide (CID 22775035) is N-naphthalen-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-naphthalen-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-naphthalen-2-ylbutane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-ylbutane-1-sulfonamide?
The InChIKey is CAARVTPVBWOQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-2-3-10-18(16,17)15-14-9-8-12-6-4-5-7-13(12)11-14/h4-9,11,15H,2-3,10H2,1H3.
What are the key properties of N-naphthalen-2-ylbutane-1-sulfonamide?
N-naphthalen-2-ylbutane-1-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 22775035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).