4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide

C21H21Cl2N3O2S2 — CID 121145108

IUPAC4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN(c2nccs2)C1)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H21Cl2N3O2S2/c22-18-10-17(11-19(23)12-18)16-3-5-20(6-4-16)30(27,28)25-13-15-2-1-8-26(14-15)21-24-7-9-29-21/h3-7,9-12,15,25H,1-2,8,13-14H2
InChIKeyYTBNMPQQKLIGLL-UHFFFAOYSA-N
MW482.46 g/mol
LogP5.31
Rot. Bonds6

About 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide

4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 121145108) has the molecular formula C21H21Cl2N3O2S2 and a molecular weight of 482.46 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID121145108
Molecular FormulaC21H21Cl2N3O2S2
Molecular Weight482.46 g/mol
Exact Mass481.05
IUPAC Name4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN(c2nccs2)C1)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C21H21Cl2N3O2S2/c22-18-10-17(11-19(23)12-18)16-3-5-20(6-4-16)30(27,28)25-13-15-2-1-8-26(14-15)21-24-7-9-29-21/h3-7,9-12,15,25H,1-2,8,13-14H2
InChIKeyYTBNMPQQKLIGLL-UHFFFAOYSA-N
XLogP5.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90621953
4-fluoro-3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621908
5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621931
3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915
3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 90621895
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
methyl 2-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methylsulfamoyl]acetate
CID 90622007
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 90621946
1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 90621638
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621661
4-(4-fluorophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875755

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide (CID 121145108) is 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCCN(c2nccs2)C1)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is YTBNMPQQKLIGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2S2/c22-18-10-17(11-19(23)12-18)16-3-5-20(6-4-16)30(27,28)25-13-15-2-1-8-26(14-15)21-24-7-9-29-21/h3-7,9-12,15,25H,1-2,8,13-14H2.
What are the key properties of 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 482.46 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121145108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).