N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C14H12F3NO4S — CID 3675528

IUPACN-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO4S/c15-14(16,17)22-12-5-7-13(8-6-12)23(20,21)18-11-3-1-10(9-19)2-4-11/h1-8,18-19H,9H2
InChIKeyGACQQROMEYKCGD-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.88
Rot. Bonds5

About N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3675528) has the molecular formula C14H12F3NO4S and a molecular weight of 347.31 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3675528
Molecular FormulaC14H12F3NO4S
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC NameN-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO4S/c15-14(16,17)22-12-5-7-13(8-6-12)23(20,21)18-11-3-1-10(9-19)2-4-11/h1-8,18-19H,9H2
InChIKeyGACQQROMEYKCGD-UHFFFAOYSA-N
XLogP2.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-[(2S)-1-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propan-2-yl]propanamide
CID 67419836
N-[1-(4-aminophenyl)-2-methylpropan-2-yl]propanamide;N-[2-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propan-2-yl]propanamide
CID 158211514
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 46276526
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 3675528) is N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccc(CO)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GACQQROMEYKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S/c15-14(16,17)22-12-5-7-13(8-6-12)23(20,21)18-11-3-1-10(9-19)2-4-11/h1-8,18-19H,9H2.
What are the key properties of N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 347.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3675528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).