3-bromo-N-naphthalen-2-ylbenzenesulfonamide

C16H12BrNO2S — CID 7938660

IUPAC3-bromo-N-naphthalen-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C16H12BrNO2S/c17-14-6-3-7-16(11-14)21(19,20)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H
InChIKeyDFTBDIQVBPAYJE-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.40
Rot. Bonds3

About 3-bromo-N-naphthalen-2-ylbenzenesulfonamide

3-bromo-N-naphthalen-2-ylbenzenesulfonamide (PubChem CID 7938660) has the molecular formula C16H12BrNO2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 3-bromo-N-naphthalen-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-naphthalen-2-ylbenzenesulfonamide
PubChem CID7938660
Molecular FormulaC16H12BrNO2S
Molecular Weight362.25 g/mol
Exact Mass360.98
IUPAC Name3-bromo-N-naphthalen-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C16H12BrNO2S/c17-14-6-3-7-16(11-14)21(19,20)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H
InChIKeyDFTBDIQVBPAYJE-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
3-bromo-N-quinolin-2-ylbenzenesulfonamide
CID 166063346
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-naphthalen-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-naphthalen-2-ylbenzenesulfonamide (CID 7938660) is 3-bromo-N-naphthalen-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-naphthalen-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-naphthalen-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccc2ccccc2c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-naphthalen-2-ylbenzenesulfonamide?
The InChIKey is DFTBDIQVBPAYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2S/c17-14-6-3-7-16(11-14)21(19,20)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H.
What are the key properties of 3-bromo-N-naphthalen-2-ylbenzenesulfonamide?
3-bromo-N-naphthalen-2-ylbenzenesulfonamide has a molecular weight of 362.25 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-naphthalen-2-ylbenzenesulfonamide is sourced from PubChem (CID 7938660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).