N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide

C22H23Cl2N5O5S — CID 66835578

IUPACN-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1-c1noc(C)c1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H23Cl2N5O5S/c1-13-19(20(26-34-13)16-11-15(27-35(3,31)32)4-5-18(16)33-2)22(30)29-8-6-28(7-9-29)21-17(24)10-14(23)12-25-21/h4-5,10-12,27H,6-9H2,1-3H3
InChIKeyHDCXILNJTMYMPE-UHFFFAOYSA-N
MW540.43 g/mol
LogP3.69
Rot. Bonds6

About N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide

N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide (PubChem CID 66835578) has the molecular formula C22H23Cl2N5O5S and a molecular weight of 540.43 g/mol. Its IUPAC name is N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide
PubChem CID66835578
Molecular FormulaC22H23Cl2N5O5S
Molecular Weight540.43 g/mol
Exact Mass539.08
IUPAC NameN-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1-c1noc(C)c1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H23Cl2N5O5S/c1-13-19(20(26-34-13)16-11-15(27-35(3,31)32)4-5-18(16)33-2)22(30)29-8-6-28(7-9-29)21-17(24)10-14(23)12-25-21/h4-5,10-12,27H,6-9H2,1-3H3
InChIKeyHDCXILNJTMYMPE-UHFFFAOYSA-N
XLogP3.69
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 66835598
N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 71252515
N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55933429
N-[5-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxycyclohexa-1,3-dien-1-yl]acetamide
CID 66837086
[5-bromo-6-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]-3-pyridinyl]-methyl-oxoazanium
CID 88949952
[4-(5-amino-4-chloro-2-isocyanophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 88917690
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1005082
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348887
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2741605
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide (CID 66835578) is N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide is COc1ccc(NS(C)(=O)=O)cc1-c1noc(C)c1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide?
The InChIKey is HDCXILNJTMYMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O5S/c1-13-19(20(26-34-13)16-11-15(27-35(3,31)32)4-5-18(16)33-2)22(30)29-8-6-28(7-9-29)21-17(24)10-14(23)12-25-21/h4-5,10-12,27H,6-9H2,1-3H3.
What are the key properties of N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide?
N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide has a molecular weight of 540.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 66835578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).