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

C10H17ClN2O3S2 — CID 55000387

IUPACN-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H17ClN2O3S2/c1-4-8(2)13(5-6-16-3)18(14,15)9-7-12-10(11)17-9/h7-8H,4-6H2,1-3H3
InChIKeyDRGIGSOGCIABOM-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.23
Rot. Bonds7

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

N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 55000387) has the molecular formula C10H17ClN2O3S2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
PubChem CID55000387
Molecular FormulaC10H17ClN2O3S2
Molecular Weight312.84 g/mol
Exact Mass312.04
IUPAC NameN-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCCC(C)N(CCOC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H17ClN2O3S2/c1-4-8(2)13(5-6-16-3)18(14,15)9-7-12-10(11)17-9/h7-8H,4-6H2,1-3H3
InChIKeyDRGIGSOGCIABOM-UHFFFAOYSA-N
XLogP2.23
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.23
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)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide (CID 55000387) is N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide is CCC(C)N(CCOC)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is DRGIGSOGCIABOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3S2/c1-4-8(2)13(5-6-16-3)18(14,15)9-7-12-10(11)17-9/h7-8H,4-6H2,1-3H3.
What are the key properties of N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide?
N-butan-2-yl-2-chloro-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 312.84 g/mol, XLogP of 2.23, 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)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55000387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).