4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide

C17H14BrClN2O2S2 — CID 166351130

IUPAC4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)cn1
InChIInChI=1S/C17H14BrClN2O2S2/c1-10-7-13(18)8-11(2)17(10)25(22,23)21-16-6-3-12(9-20-16)14-4-5-15(19)24-14/h3-9H,1-2H3,(H,20,21)
InChIKeyOKIDFEKSIBCTFD-UHFFFAOYSA-N
MW457.80 g/mol
LogP5.64
Rot. Bonds4

About 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide

4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 166351130) has the molecular formula C17H14BrClN2O2S2 and a molecular weight of 457.80 g/mol. Its IUPAC name is 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide
PubChem CID166351130
Molecular FormulaC17H14BrClN2O2S2
Molecular Weight457.80 g/mol
Exact Mass455.94
IUPAC Name4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)cn1
InChIInChI=1S/C17H14BrClN2O2S2/c1-10-7-13(18)8-11(2)17(10)25(22,23)21-16-6-3-12(9-20-16)14-4-5-15(19)24-14/h3-9H,1-2H3,(H,20,21)
InChIKeyOKIDFEKSIBCTFD-UHFFFAOYSA-N
XLogP5.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.80
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
5-chloro-N-(5-phenyl-2-pyridinyl)thiophene-2-sulfonamide
CID 110634676
N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide
CID 43327264
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
4-bromo-2,6-dimethyl-N-(6-propan-2-yloxypyridazin-3-yl)benzenesulfonamide
CID 166234259
4-bromo-2,6-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 166186600
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
N-(5-acetyl-2-pyridinyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 91662469

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide (CID 166351130) is 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide is Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)cn1.
What is the InChIKey of 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is OKIDFEKSIBCTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2S2/c1-10-7-13(18)8-11(2)17(10)25(22,23)21-16-6-3-12(9-20-16)14-4-5-15(19)24-14/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide?
4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 457.80 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 166351130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).