N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide

C15H18Cl2N2O2S2 — CID 10200568

IUPACN-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide
SMILESCCCCc1sc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)nc1C
InChIInChI=1S/C15H18Cl2N2O2S2/c1-4-5-6-13-10(3)18-15(22-13)19-23(20,21)14-9(2)7-11(16)8-12(14)17/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyGFWICMHJJWBKDL-UHFFFAOYSA-N
MW393.36 g/mol
LogP5.21
Rot. Bonds6

About N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide

N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide (PubChem CID 10200568) has the molecular formula C15H18Cl2N2O2S2 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide
PubChem CID10200568
Molecular FormulaC15H18Cl2N2O2S2
Molecular Weight393.36 g/mol
Exact Mass392.02
IUPAC NameN-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide
SMILESCCCCc1sc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)nc1C
InChIInChI=1S/C15H18Cl2N2O2S2/c1-4-5-6-13-10(3)18-15(22-13)19-23(20,21)14-9(2)7-11(16)8-12(14)17/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyGFWICMHJJWBKDL-UHFFFAOYSA-N
XLogP5.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide?
The IUPAC name of N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide (CID 10200568) is N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide?
The canonical SMILES for N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide is CCCCc1sc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)nc1C.
What is the InChIKey of N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide?
The InChIKey is GFWICMHJJWBKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2S2/c1-4-5-6-13-10(3)18-15(22-13)19-23(20,21)14-9(2)7-11(16)8-12(14)17/h7-8H,4-6H2,1-3H3,(H,18,19).
What are the key properties of N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide?
N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide has a molecular weight of 393.36 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide is sourced from PubChem (CID 10200568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).