4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride

C19H16Cl3N2O2S- — CID 45108798

IUPAC4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccn1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C19H16Cl2N2O2S.ClH/c20-15-4-8-18(9-5-15)23(14-12-17-3-1-2-13-22-17)26(24,25)19-10-6-16(21)7-11-19;/h1-11,13H,12,14H2;1H/p-1
InChIKeySWEHYOPMCIYTEM-UHFFFAOYSA-M
MW442.78 g/mol
LogP1.83
Rot. Bonds6

About 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride

4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride (PubChem CID 45108798) has the molecular formula C19H16Cl3N2O2S- and a molecular weight of 442.78 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride
PubChem CID45108798
Molecular FormulaC19H16Cl3N2O2S-
Molecular Weight442.78 g/mol
Exact Mass441.00
IUPAC Name4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccn1)c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C19H16Cl2N2O2S.ClH/c20-15-4-8-18(9-5-15)23(14-12-17-3-1-2-13-22-17)26(24,25)19-10-6-16(21)7-11-19;/h1-11,13H,12,14H2;1H/p-1
InChIKeySWEHYOPMCIYTEM-UHFFFAOYSA-M
XLogP1.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.78
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-pyridin-2-ylethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;hydrochloride
CID 134105796
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
CID 58128995
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 52746563
zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
CID 139055995
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447
4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 5016217
4-chloro-N-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 6616680
1-ethyl-N-(4-methoxyphenyl)-3-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-sulfonamide
CID 46982024
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride (CID 45108798) is 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride is O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccn1)c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride?
The InChIKey is SWEHYOPMCIYTEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16Cl2N2O2S.ClH/c20-15-4-8-18(9-5-15)23(14-12-17-3-1-2-13-22-17)26(24,25)19-10-6-16(21)7-11-19;/h1-11,13H,12,14H2;1H/p-1.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride?
4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride has a molecular weight of 442.78 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride is sourced from PubChem (CID 45108798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).