N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

C11H19ClN2O3S2 — CID 55000334

IUPACN-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H19ClN2O3S2/c1-5-8(2)14(6-7-17-4)19(15,16)10-9(3)13-11(12)18-10/h8H,5-7H2,1-4H3
InChIKeyCCNPEYRAGMSXGV-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.54
Rot. Bonds7

About N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide

N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 55000334) has the molecular formula C11H19ClN2O3S2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID55000334
Molecular FormulaC11H19ClN2O3S2
Molecular Weight326.87 g/mol
Exact Mass326.05
IUPAC NameN-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H19ClN2O3S2/c1-5-8(2)14(6-7-17-4)19(15,16)10-9(3)13-11(12)18-10/h8H,5-7H2,1-4H3
InChIKeyCCNPEYRAGMSXGV-UHFFFAOYSA-N
XLogP2.54
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 55000334) is N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is CCC(C)N(CCOC)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CCNPEYRAGMSXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O3S2/c1-5-8(2)14(6-7-17-4)19(15,16)10-9(3)13-11(12)18-10/h8H,5-7H2,1-4H3.
What are the key properties of N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 326.87 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55000334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).