N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

C18H16FN3O3S2 — CID 16944515

IUPACN-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16FN3O3S2/c1-12-16(17(23)20-11-13-5-3-2-4-6-13)26-18(21-12)22-27(24,25)15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeySDNPZVCVQUPKDY-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.32
Rot. Bonds6

About N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944515) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944515
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16FN3O3S2/c1-12-16(17(23)20-11-13-5-3-2-4-6-13)26-18(21-12)22-27(24,25)15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeySDNPZVCVQUPKDY-UHFFFAOYSA-N
XLogP3.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16944515) is N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SDNPZVCVQUPKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-12-16(17(23)20-11-13-5-3-2-4-6-13)26-18(21-12)22-27(24,25)15-9-7-14(19)8-10-15/h2-10H,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).