4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide

C14H17BrN2O2S — CID 106077343

IUPAC4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H17BrN2O2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)17-20(18,19)10-4-3-9-16/h1-2,5-8,17H,3-4,9-10,16H2
InChIKeyKWHSTQCVBJZWIC-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.08
Rot. Bonds6

About 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide

4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide (PubChem CID 106077343) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide
PubChem CID106077343
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H17BrN2O2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)17-20(18,19)10-4-3-9-16/h1-2,5-8,17H,3-4,9-10,16H2
InChIKeyKWHSTQCVBJZWIC-UHFFFAOYSA-N
XLogP3.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-1-naphthylamine
CID 75303
N-(4-bromonaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 3845641
N-(4-bromonaphthalen-1-yl)methanesulfonamide
CID 102599780
4-bromo-N-(4-bromonaphthalen-1-yl)benzenesulfonamide
CID 129842860
N-(4-bromonaphthalen-1-yl)-2,4-difluorobenzenesulfonamide
CID 3710218
N-(4-bromonaphthalen-1-yl)-2,6-difluorobenzenesulfonamide
CID 3712207
N-(4-bromonaphthalen-1-yl)-4-fluorobenzenesulfonamide
CID 3845173
1-(3-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanesulfonamide
CID 61127181
1-(3-aminophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]methanesulfonamide
CID 61301193
1-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]methanesulfonamide
CID 62021482
1-(2-aminophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]methanesulfonamide
CID 62022057
N-(4-bromonaphthalen-1-yl)-1,1-difluoromethanesulfonamide
CID 104184500

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide (CID 106077343) is 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide is NCCCCS(=O)(=O)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide?
The InChIKey is KWHSTQCVBJZWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)17-20(18,19)10-4-3-9-16/h1-2,5-8,17H,3-4,9-10,16H2.
What are the key properties of 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide?
4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide has a molecular weight of 357.27 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide is sourced from PubChem (CID 106077343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).