4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide

C14H11BrN2O2S2 — CID 81265731

IUPAC4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)Nc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C14H11BrN2O2S2/c15-11-3-1-10-6-13(4-2-9(10)5-11)17-21(18,19)14-7-12(16)8-20-14/h1-8,17H,16H2
InChIKeySDTVINLIXZOPLG-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.05
Rot. Bonds3

About 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide

4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide (PubChem CID 81265731) has the molecular formula C14H11BrN2O2S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide
PubChem CID81265731
Molecular FormulaC14H11BrN2O2S2
Molecular Weight383.29 g/mol
Exact Mass381.94
IUPAC Name4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)Nc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C14H11BrN2O2S2/c15-11-3-1-10-6-13(4-2-9(10)5-11)17-21(18,19)14-7-12(16)8-20-14/h1-8,17H,16H2
InChIKeySDTVINLIXZOPLG-UHFFFAOYSA-N
XLogP4.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide (CID 81265731) is 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)Nc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide?
The InChIKey is SDTVINLIXZOPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S2/c15-11-3-1-10-6-13(4-2-9(10)5-11)17-21(18,19)14-7-12(16)8-20-14/h1-8,17H,16H2.
What are the key properties of 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide?
4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide has a molecular weight of 383.29 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-bromonaphthalen-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 81265731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).