N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

C14H19N3O3S2 — CID 53127206

IUPACN-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1nnc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)o1
InChIInChI=1S/C14H19N3O3S2/c1-10-15-16-14(20-10)11-8-13(21-9-11)22(18,19)17-12-6-4-2-3-5-7-12/h8-9,12,17H,2-7H2,1H3
InChIKeyGZZJXUXUKPLQDZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.11
Rot. Bonds4

About N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 53127206) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID53127206
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1nnc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)o1
InChIInChI=1S/C14H19N3O3S2/c1-10-15-16-14(20-10)11-8-13(21-9-11)22(18,19)17-12-6-4-2-3-5-7-12/h8-9,12,17H,2-7H2,1H3
InChIKeyGZZJXUXUKPLQDZ-UHFFFAOYSA-N
XLogP3.11
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (CID 53127206) is N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is Cc1nnc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)o1.
What is the InChIKey of N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is GZZJXUXUKPLQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-10-15-16-14(20-10)11-8-13(21-9-11)22(18,19)17-12-6-4-2-3-5-7-12/h8-9,12,17H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53127206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).