2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine

C17H14BrNO2S — CID 138968225

IUPAC2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine
SMILESCNc1c(S(=O)(=O)c2ccccc2Br)ccc2ccccc12
InChIInChI=1S/C17H14BrNO2S/c1-19-17-13-7-3-2-6-12(13)10-11-16(17)22(20,21)15-9-5-4-8-14(15)18/h2-11,19H,1H3
InChIKeySGMLDWJBSWEUPZ-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.48
Rot. Bonds3

About 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine

2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine (PubChem CID 138968225) has the molecular formula C17H14BrNO2S and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine
PubChem CID138968225
Molecular FormulaC17H14BrNO2S
Molecular Weight376.28 g/mol
Exact Mass374.99
IUPAC Name2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine
SMILESCNc1c(S(=O)(=O)c2ccccc2Br)ccc2ccccc12
InChIInChI=1S/C17H14BrNO2S/c1-19-17-13-7-3-2-6-12(13)10-11-16(17)22(20,21)15-9-5-4-8-14(15)18/h2-11,19H,1H3
InChIKeySGMLDWJBSWEUPZ-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methylbenzenesulfonamide
CID 850141
(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424894
2-iodo-N-methylnaphthalen-1-amine
CID 174703864
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
1-methylnaphthalene-2-sulfonamide
CID 57353049
1-(methylamino)naphthalene-2-carbonitrile
CID 134243586
3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one
CID 134065364
1-anilinonaphthalene-2-sulfonic acid
CID 14694055
1-(methanesulfonamido)naphthalene-2-carboxylic acid
CID 151146757
N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
CID 139947697
2-bromobenzenesulfonyl chloride;ethane
CID 145241155
1-methylsulfonylnaphthalene
CID 11206535

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine (CID 138968225) is 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine is CNc1c(S(=O)(=O)c2ccccc2Br)ccc2ccccc12.
What is the InChIKey of 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine?
The InChIKey is SGMLDWJBSWEUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2S/c1-19-17-13-7-3-2-6-12(13)10-11-16(17)22(20,21)15-9-5-4-8-14(15)18/h2-11,19H,1H3.
What are the key properties of 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine?
2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine has a molecular weight of 376.28 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine is sourced from PubChem (CID 138968225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).