2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide

C17H22Cl2N4O3S2 — CID 22027957

IUPAC2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)N(C(C)C)C(C)C)ns1
InChIInChI=1S/C17H22Cl2N4O3S2/c1-9(2)23(10(3)4)15(24)8-14-20-17(27-21-14)22-28(25,26)16-11(5)6-12(18)7-13(16)19/h6-7,9-10H,8H2,1-5H3,(H,20,21,22)
InChIKeyRVNWGXMWIVCGIL-UHFFFAOYSA-N
MW465.43 g/mol
LogP4.14
Rot. Bonds7

About 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide

2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 22027957) has the molecular formula C17H22Cl2N4O3S2 and a molecular weight of 465.43 g/mol. Its IUPAC name is 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID22027957
Molecular FormulaC17H22Cl2N4O3S2
Molecular Weight465.43 g/mol
Exact Mass464.05
IUPAC Name2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)N(C(C)C)C(C)C)ns1
InChIInChI=1S/C17H22Cl2N4O3S2/c1-9(2)23(10(3)4)15(24)8-14-20-17(27-21-14)22-28(25,26)16-11(5)6-12(18)7-13(16)19/h6-7,9-10H,8H2,1-5H3,(H,20,21,22)
InChIKeyRVNWGXMWIVCGIL-UHFFFAOYSA-N
XLogP4.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide (CID 22027957) is 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)N(C(C)C)C(C)C)ns1.
What is the InChIKey of 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is RVNWGXMWIVCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O3S2/c1-9(2)23(10(3)4)15(24)8-14-20-17(27-21-14)22-28(25,26)16-11(5)6-12(18)7-13(16)19/h6-7,9-10H,8H2,1-5H3,(H,20,21,22).
What are the key properties of 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide?
2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 465.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 22027957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).