N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide

C15H12BrNO2S2 — CID 81267737

IUPACN-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3cc(Br)ccc3c2)s1
InChIInChI=1S/C15H12BrNO2S2/c1-10-2-7-15(20-10)21(18,19)17-14-6-4-11-8-13(16)5-3-12(11)9-14/h2-9,17H,1H3
InChIKeyWFQGVMYUGUMNRZ-UHFFFAOYSA-N
MW382.30 g/mol
LogP4.77
Rot. Bonds3

About N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide

N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 81267737) has the molecular formula C15H12BrNO2S2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide
PubChem CID81267737
Molecular FormulaC15H12BrNO2S2
Molecular Weight382.30 g/mol
Exact Mass380.95
IUPAC NameN-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3cc(Br)ccc3c2)s1
InChIInChI=1S/C15H12BrNO2S2/c1-10-2-7-15(20-10)21(18,19)17-14-6-4-11-8-13(16)5-3-12(11)9-14/h2-9,17H,1H3
InChIKeyWFQGVMYUGUMNRZ-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide (CID 81267737) is N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3cc(Br)ccc3c2)s1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is WFQGVMYUGUMNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S2/c1-10-2-7-15(20-10)21(18,19)17-14-6-4-11-8-13(16)5-3-12(11)9-14/h2-9,17H,1H3.
What are the key properties of N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide?
N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 382.30 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 81267737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).