N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide

C17H14BrNO2S — CID 3742341

IUPACN-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C17H14BrNO2S/c18-17-8-4-3-7-15(17)12-19-22(20,21)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,19H,12H2
InChIKeyIVJYVJUHEIKSOG-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.08
Rot. Bonds4

About N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide

N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide (PubChem CID 3742341) has the molecular formula C17H14BrNO2S and a molecular weight of 376.28 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
PubChem CID3742341
Molecular FormulaC17H14BrNO2S
Molecular Weight376.28 g/mol
Exact Mass374.99
IUPAC NameN-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C17H14BrNO2S/c18-17-8-4-3-7-15(17)12-19-22(20,21)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,19H,12H2
InChIKeyIVJYVJUHEIKSOG-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 26542141
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
N-(2-bromoethyl)naphthalene-2-sulfonamide
CID 4737381
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847
5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106051880

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide (CID 3742341) is N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide is O=S(=O)(NCc1ccccc1Br)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide?
The InChIKey is IVJYVJUHEIKSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2S/c18-17-8-4-3-7-15(17)12-19-22(20,21)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,19H,12H2.
What are the key properties of N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide?
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide has a molecular weight of 376.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 3742341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).