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

C18H17ClN2O4S3 — CID 6623386

IUPACN-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine
SMILESCN(Cc1ccccc1)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O4S3/c1-21(12-13-6-4-3-5-7-13)17-16(20-18(26-17)27(2,22)23)28(24,25)15-10-8-14(19)9-11-15/h3-11H,12H2,1-2H3
InChIKeyUIUYPMKZFJKQLV-UHFFFAOYSA-N
MW457.00 g/mol
LogP3.67
Rot. Bonds6

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

N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine (PubChem CID 6623386) has the molecular formula C18H17ClN2O4S3 and a molecular weight of 457.00 g/mol. Its IUPAC name is N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine
PubChem CID6623386
Molecular FormulaC18H17ClN2O4S3
Molecular Weight457.00 g/mol
Exact Mass456.00
IUPAC NameN-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine
SMILESCN(Cc1ccccc1)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O4S3/c1-21(12-13-6-4-3-5-7-13)17-16(20-18(26-17)27(2,22)23)28(24,25)15-10-8-14(19)9-11-15/h3-11H,12H2,1-2H3
InChIKeyUIUYPMKZFJKQLV-UHFFFAOYSA-N
XLogP3.67
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The IUPAC name of N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine (CID 6623386) is N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine.
What is the SMILES notation for N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The canonical SMILES for N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine is CN(Cc1ccccc1)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The InChIKey is UIUYPMKZFJKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S3/c1-21(12-13-6-4-3-5-7-13)17-16(20-18(26-17)27(2,22)23)28(24,25)15-10-8-14(19)9-11-15/h3-11H,12H2,1-2H3.
What are the key properties of N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine?
N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine has a molecular weight of 457.00 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine is sourced from PubChem (CID 6623386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).