5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide

C9H11F3N2O3S — CID 106218429

IUPAC5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1c[nH]c(CO)c1
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)8(1-2-8)14-18(16,17)7-3-6(5-15)13-4-7/h3-4,13-15H,1-2,5H2
InChIKeySWZNYBACCAKEPY-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.88
Rot. Bonds4

About 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide

5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106218429) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
PubChem CID106218429
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1c[nH]c(CO)c1
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)8(1-2-8)14-18(16,17)7-3-6(5-15)13-4-7/h3-4,13-15H,1-2,5H2
InChIKeySWZNYBACCAKEPY-UHFFFAOYSA-N
XLogP0.88
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide (CID 106218429) is 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1c[nH]c(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is SWZNYBACCAKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c10-9(11,12)8(1-2-8)14-18(16,17)7-3-6(5-15)13-4-7/h3-4,13-15H,1-2,5H2.
What are the key properties of 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide?
5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 284.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106218429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).