3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide

C17H12Cl2N2O2S — CID 72547283

IUPAC3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccncc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2S/c18-14-9-15(19)11-17(10-14)24(22,23)21-16-3-1-12(2-4-16)13-5-7-20-8-6-13/h1-11,21H
InChIKeyBZUSMKVXJJRSBP-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.86
Rot. Bonds4

About 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide

3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide (PubChem CID 72547283) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide
PubChem CID72547283
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccncc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2S/c18-14-9-15(19)11-17(10-14)24(22,23)21-16-3-1-12(2-4-16)13-5-7-20-8-6-13/h1-11,21H
InChIKeyBZUSMKVXJJRSBP-UHFFFAOYSA-N
XLogP4.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
Substituted phenylsulfonyltryptamine, 11d
CID 23655289
6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 1236939
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-2,5-dichlorobenzene-1-sulfonamide
CID 2807133
6-chloro-N-(2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729873
4-(5-Chloro-6''-methyl-[2,3'']bipyridinyl-3-yl)-benzenesulfonamide
CID 10269858
1-(3-Chloro-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
CID 10270799
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)pyridine-3-sulfonamide
CID 46229898
N-(2-chloro-5-pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 87570551
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide (CID 72547283) is 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccncc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide?
The InChIKey is BZUSMKVXJJRSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c18-14-9-15(19)11-17(10-14)24(22,23)21-16-3-1-12(2-4-16)13-5-7-20-8-6-13/h1-11,21H.
What are the key properties of 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide?
3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide has a molecular weight of 379.27 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-pyridin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 72547283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).