N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide

C13H12BrClN2O2S — CID 19683219

IUPACN-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cn2)c(C)cc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c1-8-6-12(9(2)5-11(8)15)20(18,19)17-13-4-3-10(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyVPPNNYJVLRCMIX-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.92
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide

N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide (PubChem CID 19683219) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
PubChem CID19683219
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC NameN-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cn2)c(C)cc1Cl
InChIInChI=1S/C13H12BrClN2O2S/c1-8-6-12(9(2)5-11(8)15)20(18,19)17-13-4-3-10(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyVPPNNYJVLRCMIX-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
CID 106020875
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide (CID 19683219) is N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Br)cn2)c(C)cc1Cl.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The InChIKey is VPPNNYJVLRCMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-8-6-12(9(2)5-11(8)15)20(18,19)17-13-4-3-10(14)7-16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide?
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 19683219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).