5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C50H48Cl2N10O6S3 — CID 87727485

IUPAC5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C25H22ClN5O3S2.C25H26ClN5O3S/c1-16-2-5-20(14-21(16)29-36(33,34)24-22(26)28-25-31(24)12-13-35-25)23(32)30-10-8-19(9-11-30)18-6-3-17(15-27)4-7-18;1-16-4-7-21(14-22(16)29-35(33,34)23-17(2)28-30(3)24(23)26)25(32)31-12-10-20(11-13-31)19-8-5-18(15-27)6-9-19/h2-7,12-14,19,29H,8-11H2,1H3;4-9,14,20,29H,10-13H2,1-3H3
InChIKeySPYOLFFABMOUNM-UHFFFAOYSA-N
MW1052.10 g/mol
LogP9.43
Rot. Bonds10

About 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 87727485) has the molecular formula C50H48Cl2N10O6S3 and a molecular weight of 1052.10 g/mol. Its IUPAC name is 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID87727485
Molecular FormulaC50H48Cl2N10O6S3
Molecular Weight1052.10 g/mol
Exact Mass1050.23
IUPAC Name5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C25H22ClN5O3S2.C25H26ClN5O3S/c1-16-2-5-20(14-21(16)29-36(33,34)24-22(26)28-25-31(24)12-13-35-25)23(32)30-10-8-19(9-11-30)18-6-3-17(15-27)4-7-18;1-16-4-7-21(14-22(16)29-35(33,34)23-17(2)28-30(3)24(23)26)25(32)31-12-10-20(11-13-31)19-8-5-18(15-27)6-9-19/h2-7,12-14,19,29H,8-11H2,1H3;4-9,14,20,29H,10-13H2,1-3H3
InChIKeySPYOLFFABMOUNM-UHFFFAOYSA-N
XLogP9.43
TPSA215.66 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001052.10
LogP ≤ 59.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide with MolForge

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Related Compounds

N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 25153577
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]acetic acid
CID 68950872
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 68943849
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyrimidine-4-carboxamide
CID 25107444
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(2,2-dimethylpropyl)urea
CID 25128972
4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 70872451
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-propylpiperidin-4-yl)urea
CID 25129333
N-[2-methyl-5-[4-(4-methylsulfonylphenyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 25153153
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide
CID 69168018

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 87727485) is 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is SPYOLFFABMOUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3S2.C25H26ClN5O3S/c1-16-2-5-20(14-21(16)29-36(33,34)24-22(26)28-25-31(24)12-13-35-25)23(32)30-10-8-19(9-11-30)18-6-3-17(15-27)4-7-18;1-16-4-7-21(14-22(16)29-35(33,34)23-17(2)28-30(3)24(23)26)25(32)31-12-10-20(11-13-31)19-8-5-18(15-27)6-9-19/h2-7,12-14,19,29H,8-11H2,1H3;4-9,14,20,29H,10-13H2,1-3H3.
What are the key properties of 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 1052.10 g/mol, XLogP of 9.43, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide;6-chloro-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 87727485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).