N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide

C16H20BrNO2S — CID 114795664

IUPACN-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
SMILESCCC(CC)(CBr)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H20BrNO2S/c1-3-16(4-2,12-17)18-21(19,20)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18H,3-4,12H2,1-2H3
InChIKeyLIKCNWHCKQPFCT-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.07
Rot. Bonds6

About N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide

N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide (PubChem CID 114795664) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
PubChem CID114795664
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
SMILESCCC(CC)(CBr)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H20BrNO2S/c1-3-16(4-2,12-17)18-21(19,20)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18H,3-4,12H2,1-2H3
InChIKeyLIKCNWHCKQPFCT-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
CID 103740938
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107868257
N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 115684135
N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
CID 114795680
N-(trifluoromethyl)naphthalene-1-sulfonamide
CID 19040009
N-[1-bromo-2-(bromomethyl)butan-2-yl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 107868251
N-[3-(bromomethyl)pentan-3-yl]-2,5-dimethylbenzenesulfonamide
CID 114294055
2-methyl-2-(naphthalen-1-ylsulfonylamino)butanimidamide
CID 114795769
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide
CID 114294053
N-[3-(bromomethyl)pentan-3-yl]-5-fluoro-2-methylbenzenesulfonamide
CID 114294064
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide (CID 114795664) is N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide is CCC(CC)(CBr)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide?
The InChIKey is LIKCNWHCKQPFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-3-16(4-2,12-17)18-21(19,20)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18H,3-4,12H2,1-2H3.
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide?
N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide has a molecular weight of 370.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 114795664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).