4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C12H11F3N2O3S2 — CID 162550003

IUPAC4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCN(O)c1csc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C12H11F3N2O3S2/c1-17(18)10-6-11(21-7-10)22(19,20)16-9-4-2-8(3-5-9)12(13,14)15/h2-7,16,18H,1H3
InChIKeyYXMUGNYSRWDZHD-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.39
Rot. Bonds4

About 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 162550003) has the molecular formula C12H11F3N2O3S2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID162550003
Molecular FormulaC12H11F3N2O3S2
Molecular Weight352.36 g/mol
Exact Mass352.02
IUPAC Name4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCN(O)c1csc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C12H11F3N2O3S2/c1-17(18)10-6-11(21-7-10)22(19,20)16-9-4-2-8(3-5-9)12(13,14)15/h2-7,16,18H,1H3
InChIKeyYXMUGNYSRWDZHD-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 162550003) is 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is CN(O)c1csc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is YXMUGNYSRWDZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S2/c1-17(18)10-6-11(21-7-10)22(19,20)16-9-4-2-8(3-5-9)12(13,14)15/h2-7,16,18H,1H3.
What are the key properties of 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 352.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 162550003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).