1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide

C11H16F2N2O2S2 — CID 138049534

IUPAC1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide
SMILESCc1nc(C)c(CCNS(=O)(=O)C2(C(F)F)CC2)s1
InChIInChI=1S/C11H16F2N2O2S2/c1-7-9(18-8(2)15-7)3-6-14-19(16,17)11(4-5-11)10(12)13/h10,14H,3-6H2,1-2H3
InChIKeyHKZMXNUWGCVRLV-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.02
Rot. Bonds6

About 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide

1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide (PubChem CID 138049534) has the molecular formula C11H16F2N2O2S2 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide
PubChem CID138049534
Molecular FormulaC11H16F2N2O2S2
Molecular Weight310.39 g/mol
Exact Mass310.06
IUPAC Name1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide
SMILESCc1nc(C)c(CCNS(=O)(=O)C2(C(F)F)CC2)s1
InChIInChI=1S/C11H16F2N2O2S2/c1-7-9(18-8(2)15-7)3-6-14-19(16,17)11(4-5-11)10(12)13/h10,14H,3-6H2,1-2H3
InChIKeyHKZMXNUWGCVRLV-UHFFFAOYSA-N
XLogP2.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide (CID 138049534) is 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide is Cc1nc(C)c(CCNS(=O)(=O)C2(C(F)F)CC2)s1.
What is the InChIKey of 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide?
The InChIKey is HKZMXNUWGCVRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S2/c1-7-9(18-8(2)15-7)3-6-14-19(16,17)11(4-5-11)10(12)13/h10,14H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide?
1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide has a molecular weight of 310.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 138049534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).