4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine

C17H14ClFN2O4S3 — CID 20888722

IUPAC4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine
SMILESCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccc(F)cc2)s1
InChIInChI=1S/C17H14ClFN2O4S3/c1-27(22,23)17-21-16(28(24,25)14-8-4-12(18)5-9-14)15(26-17)20-10-11-2-6-13(19)7-3-11/h2-9,20H,10H2,1H3
InChIKeyXHGMQHBCDQJCNZ-UHFFFAOYSA-N
MW460.96 g/mol
LogP3.78
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine

4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine (PubChem CID 20888722) has the molecular formula C17H14ClFN2O4S3 and a molecular weight of 460.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine
PubChem CID20888722
Molecular FormulaC17H14ClFN2O4S3
Molecular Weight460.96 g/mol
Exact Mass459.98
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine
SMILESCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccc(F)cc2)s1
InChIInChI=1S/C17H14ClFN2O4S3/c1-27(22,23)17-21-16(28(24,25)14-8-4-12(18)5-9-14)15(26-17)20-10-11-2-6-13(19)7-3-11/h2-9,20H,10H2,1H3
InChIKeyXHGMQHBCDQJCNZ-UHFFFAOYSA-N
XLogP3.78
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-5-amine
CID 40870151
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824906
4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-N-[(1R)-1-phenylethyl]-1,3-thiazol-5-amine
CID 40870153
4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-5-amine
CID 20888826
4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine
CID 43845732
N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine
CID 20888811
N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18824916
10-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 18590272
1-[[4-(4-chlorophenyl)sulfonylphenyl]methyl]-4-(4-fluorophenyl)sulfonylbenzene
CID 139652969
3-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2138049
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18826583
N-benzyl-5-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 135000474

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine (CID 20888722) is 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine is CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccc(F)cc2)s1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine?
The InChIKey is XHGMQHBCDQJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O4S3/c1-27(22,23)17-21-16(28(24,25)14-8-4-12(18)5-9-14)15(26-17)20-10-11-2-6-13(19)7-3-11/h2-9,20H,10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine?
4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine has a molecular weight of 460.96 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-2-methylsulfonyl-1,3-thiazol-5-amine is sourced from PubChem (CID 20888722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).