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

C16H20ClN3O2S2 — CID 90621931

IUPAC5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C16H20ClN3O2S2/c1-12-4-5-14(17)9-15(12)24(21,22)19-10-13-3-2-7-20(11-13)16-18-6-8-23-16/h4-6,8-9,13,19H,2-3,7,10-11H2,1H3
InChIKeyRFOVXRAEQLCWCM-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.30
Rot. Bonds5

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

5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 90621931) has the molecular formula C16H20ClN3O2S2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID90621931
Molecular FormulaC16H20ClN3O2S2
Molecular Weight385.94 g/mol
Exact Mass385.07
IUPAC Name5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1CCCN(c2nccs2)C1
InChIInChI=1S/C16H20ClN3O2S2/c1-12-4-5-14(17)9-15(12)24(21,22)19-10-13-3-2-7-20(11-13)16-18-6-8-23-16/h4-6,8-9,13,19H,2-3,7,10-11H2,1H3
InChIKeyRFOVXRAEQLCWCM-UHFFFAOYSA-N
XLogP3.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)pyrrolidin-3-yl]benzenesulfonamide
CID 121144890
4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 121145108
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
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
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90621953
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621661
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
5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide (CID 90621931) is 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCCN(c2nccs2)C1.
What is the InChIKey of 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is RFOVXRAEQLCWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S2/c1-12-4-5-14(17)9-15(12)24(21,22)19-10-13-3-2-7-20(11-13)16-18-6-8-23-16/h4-6,8-9,13,19H,2-3,7,10-11H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide?
5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 385.94 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90621931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).