4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide

C12H11BrClN3O2S — CID 106062257

IUPAC4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ncccc2Br)cc1Cl
InChIInChI=1S/C12H11BrClN3O2S/c13-10-2-1-5-16-12(10)17-20(18,19)9-4-3-8(7-15)11(14)6-9/h1-6H,7,15H2,(H,16,17)
InChIKeyLMQHZPYMTSFZNK-UHFFFAOYSA-N
MW376.66 g/mol
LogP2.76
Rot. Bonds4

About 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide

4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide (PubChem CID 106062257) has the molecular formula C12H11BrClN3O2S and a molecular weight of 376.66 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
PubChem CID106062257
Molecular FormulaC12H11BrClN3O2S
Molecular Weight376.66 g/mol
Exact Mass374.94
IUPAC Name4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ncccc2Br)cc1Cl
InChIInChI=1S/C12H11BrClN3O2S/c13-10-2-1-5-16-12(10)17-20(18,19)9-4-3-8(7-15)11(14)6-9/h1-6H,7,15H2,(H,16,17)
InChIKeyLMQHZPYMTSFZNK-UHFFFAOYSA-N
XLogP2.76
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106062235
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
CID 82843664
N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106062209
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
2-bromo-N-(3-bromo-2-pyridinyl)-6-chlorobenzenesulfonamide
CID 114269290
5-(aminomethyl)-2-bromo-N-(3-bromo-2-pyridinyl)furan-3-sulfonamide
CID 106062158
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide
CID 106062175

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide (CID 106062257) is 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide is NCc1ccc(S(=O)(=O)Nc2ncccc2Br)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide?
The InChIKey is LMQHZPYMTSFZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2S/c13-10-2-1-5-16-12(10)17-20(18,19)9-4-3-8(7-15)11(14)6-9/h1-6H,7,15H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide?
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 106062257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).