3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide

C15H19ClN2O3S2 — CID 10193911

IUPAC3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCOC(C)C)s1
InChIInChI=1S/C15H19ClN2O3S2/c1-10(2)21-8-7-12-9-17-15(22-12)18-23(19,20)14-6-4-5-13(16)11(14)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,18)
InChIKeyJFLBCFJYHPRHBX-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.87
Rot. Bonds7

About 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide

3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 10193911) has the molecular formula C15H19ClN2O3S2 and a molecular weight of 374.92 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID10193911
Molecular FormulaC15H19ClN2O3S2
Molecular Weight374.92 g/mol
Exact Mass374.05
IUPAC Name3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCOC(C)C)s1
InChIInChI=1S/C15H19ClN2O3S2/c1-10(2)21-8-7-12-9-17-15(22-12)18-23(19,20)14-6-4-5-13(16)11(14)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,18)
InChIKeyJFLBCFJYHPRHBX-UHFFFAOYSA-N
XLogP3.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 10193911) is 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CCOC(C)C)s1.
What is the InChIKey of 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is JFLBCFJYHPRHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S2/c1-10(2)21-8-7-12-9-17-15(22-12)18-23(19,20)14-6-4-5-13(16)11(14)3/h4-6,9-10H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 374.92 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[5-(2-propan-2-yloxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10193911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).