N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide

C13H13BrClN3O2S — CID 106062122

IUPACN-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ncccc2Br)ccc1Cl
InChIInChI=1S/C13H13BrClN3O2S/c1-16-8-9-7-10(4-5-12(9)15)21(19,20)18-13-11(14)3-2-6-17-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyDXQVPWNIPNFWOX-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.02
Rot. Bonds5

About N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide

N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106062122) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106062122
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC NameN-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ncccc2Br)ccc1Cl
InChIInChI=1S/C13H13BrClN3O2S/c1-16-8-9-7-10(4-5-12(9)15)21(19,20)18-13-11(14)3-2-6-17-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyDXQVPWNIPNFWOX-UHFFFAOYSA-N
XLogP3.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106062209
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 106062257
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide
CID 114269290
3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106062235
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
CID 82843664
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
4-chloro-3-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092537
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide (CID 106062122) is N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)Nc2ncccc2Br)ccc1Cl.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is DXQVPWNIPNFWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-16-8-9-7-10(4-5-12(9)15)21(19,20)18-13-11(14)3-2-6-17-13/h2-7,16H,8H2,1H3,(H,17,18).
What are the key properties of N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide?
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106062122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).