N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide

C13H14ClN3O2S — CID 106086657

IUPACN-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-15-9-10-5-2-3-7-12(10)20(18,19)17-13-11(14)6-4-8-16-13/h2-8,15H,9H2,1H3,(H,16,17)
InChIKeyUIJGNCATJDGGBO-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.26
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide

N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 106086657) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
PubChem CID106086657
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H14ClN3O2S/c1-15-9-10-5-2-3-7-12(10)20(18,19)17-13-11(14)6-4-8-16-13/h2-8,15H,9H2,1H3,(H,16,17)
InChIKeyUIJGNCATJDGGBO-UHFFFAOYSA-N
XLogP2.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 106086586
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide
CID 122468746
N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide
CID 103094659
2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106086603
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
4-(2-chloroethyl)-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103943864

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide (CID 106086657) is N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is UIJGNCATJDGGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-15-9-10-5-2-3-7-12(10)20(18,19)17-13-11(14)6-4-8-16-13/h2-8,15H,9H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide?
N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106086657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).