3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C19H19ClN2O2S2 — CID 121084985

IUPAC3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C19H19ClN2O2S2/c1-15-18(20)7-2-8-19(15)26(23,24)22(11-9-17-6-4-12-25-17)14-16-5-3-10-21-13-16/h2-8,10,12-13H,9,11,14H2,1H3
InChIKeyUXGMDAUMXJFMBX-UHFFFAOYSA-N
MW406.96 g/mol
LogP4.54
Rot. Bonds7

About 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 121084985) has the molecular formula C19H19ClN2O2S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID121084985
Molecular FormulaC19H19ClN2O2S2
Molecular Weight406.96 g/mol
Exact Mass406.06
IUPAC Name3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C19H19ClN2O2S2/c1-15-18(20)7-2-8-19(15)26(23,24)22(11-9-17-6-4-12-25-17)14-16-5-3-10-21-13-16/h2-8,10,12-13H,9,11,14H2,1H3
InChIKeyUXGMDAUMXJFMBX-UHFFFAOYSA-N
XLogP4.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085011
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084971
4-bromo-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085018
2-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)ethenesulfonamide
CID 71960546
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 121084962
8-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 3397020
3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 21110298
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 25336701
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
2-chloro-N-(3-hydroxypropyl)-5-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 71913435
N-(2-aminoethyl)-4-methyl-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide
CID 10362137

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 121084985) is 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is UXGMDAUMXJFMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S2/c1-15-18(20)7-2-8-19(15)26(23,24)22(11-9-17-6-4-12-25-17)14-16-5-3-10-21-13-16/h2-8,10,12-13H,9,11,14H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 406.96 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 121084985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).