2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C18H16Cl2N2O2S2 — CID 121085011

IUPAC2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C18H16Cl2N2O2S2/c19-15-5-6-17(20)18(11-15)26(23,24)22(9-7-16-4-2-10-25-16)13-14-3-1-8-21-12-14/h1-6,8,10-12H,7,9,13H2
InChIKeyBTSSIRQCLUOWPL-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.88
Rot. Bonds7

About 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 121085011) has the molecular formula C18H16Cl2N2O2S2 and a molecular weight of 427.38 g/mol. Its IUPAC name is 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID121085011
Molecular FormulaC18H16Cl2N2O2S2
Molecular Weight427.38 g/mol
Exact Mass426.00
IUPAC Name2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C18H16Cl2N2O2S2/c19-15-5-6-17(20)18(11-15)26(23,24)22(9-7-16-4-2-10-25-16)13-14-3-1-8-21-12-14/h1-6,8,10-12H,7,9,13H2
InChIKeyBTSSIRQCLUOWPL-UHFFFAOYSA-N
XLogP4.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084985
2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668532
4-bromo-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085018
4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084971
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 121084962
2-chloro-N-(3-hydroxypropyl)-5-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 71913435
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
2-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)ethenesulfonamide
CID 71960546
N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3567239
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 25336701

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 121085011) is 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(c1cc(Cl)ccc1Cl)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is BTSSIRQCLUOWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S2/c19-15-5-6-17(20)18(11-15)26(23,24)22(9-7-16-4-2-10-25-16)13-14-3-1-8-21-12-14/h1-6,8,10-12H,7,9,13H2.
What are the key properties of 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 427.38 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 121085011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).