4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C12H10ClF3N2O2S2 — CID 51306758

IUPAC4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1csc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H10ClF3N2O2S2/c1-7-6-21-11(18-7)5-17-22(19,20)8-2-3-10(13)9(4-8)12(14,15)16/h2-4,6,17H,5H2,1H3
InChIKeyNAZMKIZMZVLSKE-UHFFFAOYSA-N
MW370.81 g/mol
LogP3.60
Rot. Bonds4

About 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 51306758) has the molecular formula C12H10ClF3N2O2S2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID51306758
Molecular FormulaC12H10ClF3N2O2S2
Molecular Weight370.81 g/mol
Exact Mass369.98
IUPAC Name4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1csc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H10ClF3N2O2S2/c1-7-6-21-11(18-7)5-17-22(19,20)8-2-3-10(13)9(4-8)12(14,15)16/h2-4,6,17H,5H2,1H3
InChIKeyNAZMKIZMZVLSKE-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 51306758) is 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1csc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NAZMKIZMZVLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2S2/c1-7-6-21-11(18-7)5-17-22(19,20)8-2-3-10(13)9(4-8)12(14,15)16/h2-4,6,17H,5H2,1H3.
What are the key properties of 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51306758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).