2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide

C14H16BrN3O2S — CID 55642050

IUPAC2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCN(C)c1cc(CNS(=O)(=O)c2ccccc2Br)ccn1
InChIInChI=1S/C14H16BrN3O2S/c1-18(2)14-9-11(7-8-16-14)10-17-21(19,20)13-6-4-3-5-12(13)15/h3-9,17H,10H2,1-2H3
InChIKeyADMRISOPVQYZIM-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.39
Rot. Bonds5

About 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide

2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide (PubChem CID 55642050) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide
PubChem CID55642050
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCN(C)c1cc(CNS(=O)(=O)c2ccccc2Br)ccn1
InChIInChI=1S/C14H16BrN3O2S/c1-18(2)14-9-11(7-8-16-14)10-17-21(19,20)13-6-4-3-5-12(13)15/h3-9,17H,10H2,1-2H3
InChIKeyADMRISOPVQYZIM-UHFFFAOYSA-N
XLogP2.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 87032497
4-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzene-1,4-disulfonamide
CID 55642208
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 39657352
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 122354177
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55642240
2-chloro-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-6-nitrobenzenesulfonamide
CID 47955033
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248637
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide (CID 55642050) is 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide is CN(C)c1cc(CNS(=O)(=O)c2ccccc2Br)ccn1.
What is the InChIKey of 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is ADMRISOPVQYZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-18(2)14-9-11(7-8-16-14)10-17-21(19,20)13-6-4-3-5-12(13)15/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide?
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55642050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).