3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide

C13H13BrClN3O2S — CID 106020875

IUPAC3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H13BrClN3O2S/c1-8-9(6-16)4-11(15)5-12(8)21(19,20)18-13-3-2-10(14)7-17-13/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyROHCZQHXOHGYTC-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.07
Rot. Bonds4

About 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide

3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide (PubChem CID 106020875) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
PubChem CID106020875
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC Name3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H13BrClN3O2S/c1-8-9(6-16)4-11(15)5-12(8)21(19,20)18-13-3-2-10(14)7-17-13/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyROHCZQHXOHGYTC-UHFFFAOYSA-N
XLogP3.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 106033836
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide
CID 106030300
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide (CID 106020875) is 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide?
The InChIKey is ROHCZQHXOHGYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-8-9(6-16)4-11(15)5-12(8)21(19,20)18-13-3-2-10(14)7-17-13/h2-5,7H,6,16H2,1H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide?
3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 106020875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).