N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide

C12H10BrClN2O2S — CID 2809496

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C12H10BrClN2O2S/c1-8-6-11(13)12(15-7-8)16-19(17,18)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,16)
InChIKeyLOVCWKHQUDBQNN-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.61
Rot. Bonds3

About N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide

N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide (PubChem CID 2809496) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
PubChem CID2809496
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C12H10BrClN2O2S/c1-8-6-11(13)12(15-7-8)16-19(17,18)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,16)
InChIKeyLOVCWKHQUDBQNN-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 786085
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CID 224199
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CID 2809495
CID 2809495
CID 616967
CID 616967
CID 555746
CID 555746
CID 689341
CID 689341
CID 812019
CID 812019
CID 898366
CID 898366
CID 1034221
CID 1034221
CID 1487243
CID 1487243
CID 6623748
CID 6623748
CID 22515878
CID 22515878

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide (CID 2809496) is N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide?
The InChIKey is LOVCWKHQUDBQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c1-8-6-11(13)12(15-7-8)16-19(17,18)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,15,16).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide?
N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide has a molecular weight of 361.65 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2809496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).