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

C14H15Cl2N3O2S2 — CID 90597536

IUPAC2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2nccs2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3O2S2/c15-10-1-2-12(16)13(9-10)23(20,21)18-11-3-6-19(7-4-11)14-17-5-8-22-14/h1-2,5,8-9,11,18H,3-4,6-7H2
InChIKeyKKPXUYUSOPPPMF-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.40
Rot. Bonds4

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

2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide (PubChem CID 90597536) has the molecular formula C14H15Cl2N3O2S2 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
PubChem CID90597536
Molecular FormulaC14H15Cl2N3O2S2
Molecular Weight392.33 g/mol
Exact Mass391.00
IUPAC Name2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2nccs2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2N3O2S2/c15-10-1-2-12(16)13(9-10)23(20,21)18-11-3-6-19(7-4-11)14-17-5-8-22-14/h1-2,5,8-9,11,18H,3-4,6-7H2
InChIKeyKKPXUYUSOPPPMF-UHFFFAOYSA-N
XLogP3.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 121144890
3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597489
4-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597570
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide (CID 90597536) is 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(c2nccs2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is KKPXUYUSOPPPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2S2/c15-10-1-2-12(16)13(9-10)23(20,21)18-11-3-6-19(7-4-11)14-17-5-8-22-14/h1-2,5,8-9,11,18H,3-4,6-7H2.
What are the key properties of 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide?
2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 392.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 90597536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).