N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide

C14H18N4O3S — CID 136663852

IUPACN-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide
SMILESCc1[nH]c(C)c(S(=O)(=O)NC2CC2)c1-c1nc(C2CC2)no1
InChIInChI=1S/C14H18N4O3S/c1-7-11(14-16-13(17-21-14)9-3-4-9)12(8(2)15-7)22(19,20)18-10-5-6-10/h9-10,15,18H,3-6H2,1-2H3
InChIKeyVHBVWAYSPWOOFQ-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.00
Rot. Bonds5

About N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide

N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide (PubChem CID 136663852) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide
PubChem CID136663852
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide
SMILESCc1[nH]c(C)c(S(=O)(=O)NC2CC2)c1-c1nc(C2CC2)no1
InChIInChI=1S/C14H18N4O3S/c1-7-11(14-16-13(17-21-14)9-3-4-9)12(8(2)15-7)22(19,20)18-10-5-6-10/h9-10,15,18H,3-6H2,1-2H3
InChIKeyVHBVWAYSPWOOFQ-UHFFFAOYSA-N
XLogP2.00
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide (CID 136663852) is N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide is Cc1[nH]c(C)c(S(=O)(=O)NC2CC2)c1-c1nc(C2CC2)no1.
What is the InChIKey of N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide?
The InChIKey is VHBVWAYSPWOOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-7-11(14-16-13(17-21-14)9-3-4-9)12(8(2)15-7)22(19,20)18-10-5-6-10/h9-10,15,18H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide?
N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 136663852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).