2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide

C14H16ClN3O2S — CID 39660340

IUPAC2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCN(C)c1ncccc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-18(2)14-11(6-5-9-16-14)10-17-21(19,20)13-8-4-3-7-12(13)15/h3-9,17H,10H2,1-2H3
InChIKeyMWBCBVDOCXYSBI-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.28
Rot. Bonds5

About 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide

2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 39660340) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID39660340
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCN(C)c1ncccc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-18(2)14-11(6-5-9-16-14)10-17-21(19,20)13-8-4-3-7-12(13)15/h3-9,17H,10H2,1-2H3
InChIKeyMWBCBVDOCXYSBI-UHFFFAOYSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(4-ethoxyphenoxy)benzenesulfonamide
CID 55691577
3-acetyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660374
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 39660538
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 39660540
2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 24603139
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
3-[(4-ethylsulfonylanilino)methyl]-N,N-dimethylpyridin-2-amine
CID 100663511
1-[(2-chlorophenyl)methyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111294464
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 72718438
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide (CID 39660340) is 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide is CN(C)c1ncccc1CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is MWBCBVDOCXYSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-18(2)14-11(6-5-9-16-14)10-17-21(19,20)13-8-4-3-7-12(13)15/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide?
2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 39660340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).