[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea

C12H11ClN4O3S — CID 36510490

IUPAC[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C12H11ClN4O3S/c13-11-5-4-10(7-15-11)21(19,20)17-9-3-1-2-8(6-9)16-12(14)18/h1-7,17H,(H3,14,16,18)
InChIKeyDIVONPSIPVWBPH-UHFFFAOYSA-N
MW326.77 g/mol
LogP2.03
Rot. Bonds4

About [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea

[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea (PubChem CID 36510490) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea
PubChem CID36510490
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C12H11ClN4O3S/c13-11-5-4-10(7-15-11)21(19,20)17-9-3-1-2-8(6-9)16-12(14)18/h1-7,17H,(H3,14,16,18)
InChIKeyDIVONPSIPVWBPH-UHFFFAOYSA-N
XLogP2.03
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
6-chloro-N-(3-ethynylphenyl)pyridine-3-sulfonamide
CID 24689721
N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate
CID 2683443
3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 110303473
6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
CID 110423235
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
CID 36510536
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398

Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea?
The IUPAC name of [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea (CID 36510490) is [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea?
The canonical SMILES for [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea is NC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea?
The InChIKey is DIVONPSIPVWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c13-11-5-4-10(7-15-11)21(19,20)17-9-3-1-2-8(6-9)16-12(14)18/h1-7,17H,(H3,14,16,18).
What are the key properties of [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea?
[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea has a molecular weight of 326.77 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 36510490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).