1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea

C13H14N4O4S — CID 19133929

IUPAC1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(NCNS(=O)(=O)c1ccccc1)Nc1ncccc1O
InChIInChI=1S/C13H14N4O4S/c18-11-7-4-8-14-12(11)17-13(19)15-9-16-22(20,21)10-5-2-1-3-6-10/h1-8,16,18H,9H2,(H2,14,15,17,19)
InChIKeyXAJDOOKZJGODIS-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.84
Rot. Bonds5

About 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea

1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea (PubChem CID 19133929) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea
PubChem CID19133929
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Name1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(NCNS(=O)(=O)c1ccccc1)Nc1ncccc1O
InChIInChI=1S/C13H14N4O4S/c18-11-7-4-8-14-12(11)17-13(19)15-9-16-22(20,21)10-5-2-1-3-6-10/h1-8,16,18H,9H2,(H2,14,15,17,19)
InChIKeyXAJDOOKZJGODIS-UHFFFAOYSA-N
XLogP0.84
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)propanamide
CID 18109310
3-[(4-cyclohexylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)propanamide
CID 30162607
N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31909402
1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea
CID 66491225
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 19133974
2-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 115597399
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 115597400
2-(benzenesulfonamido)-N-(1H-imidazol-2-yl)acetamide
CID 63563864
1-(4-bromophenyl)-3-[[(4-methylphenyl)sulfonylamino]methyl]urea
CID 19133960

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea?
The IUPAC name of 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea (CID 19133929) is 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea?
The canonical SMILES for 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea is O=C(NCNS(=O)(=O)c1ccccc1)Nc1ncccc1O.
What is the InChIKey of 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea?
The InChIKey is XAJDOOKZJGODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c18-11-7-4-8-14-12(11)17-13(19)15-9-16-22(20,21)10-5-2-1-3-6-10/h1-8,16,18H,9H2,(H2,14,15,17,19).
What are the key properties of 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea?
1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea has a molecular weight of 322.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamidomethyl)-3-(3-hydroxy-2-pyridinyl)urea is sourced from PubChem (CID 19133929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).