2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide

C14H17N3O3S — CID 133434864

IUPAC2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NCCc1ccc(CO)cc1
InChIInChI=1S/C14H17N3O3S/c15-21(19,20)13-2-1-8-16-14(13)17-9-7-11-3-5-12(10-18)6-4-11/h1-6,8,18H,7,9-10H2,(H,16,17)(H2,15,19,20)
InChIKeyVRUSIFJIIXZIGC-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide

2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide (PubChem CID 133434864) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide
PubChem CID133434864
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NCCc1ccc(CO)cc1
InChIInChI=1S/C14H17N3O3S/c15-21(19,20)13-2-1-8-16-14(13)17-9-7-11-3-5-12(10-18)6-4-11/h1-6,8,18H,7,9-10H2,(H,16,17)(H2,15,19,20)
InChIKeyVRUSIFJIIXZIGC-UHFFFAOYSA-N
XLogP0.88
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide?
The IUPAC name of 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide (CID 133434864) is 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1NCCc1ccc(CO)cc1.
What is the InChIKey of 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide?
The InChIKey is VRUSIFJIIXZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-21(19,20)13-2-1-8-16-14(13)17-9-7-11-3-5-12(10-18)6-4-11/h1-6,8,18H,7,9-10H2,(H,16,17)(H2,15,19,20).
What are the key properties of 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide?
2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133434864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).