3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide

C11H9ClN4O3S — CID 61053533

IUPAC3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)c2cnc(Cl)nc2)c1
InChIInChI=1S/C11H9ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-2-7(4-8)10(13)17/h1-6,16H,(H2,13,17)
InChIKeyNNCHNMZUQADXEB-UHFFFAOYSA-N
MW312.74 g/mol
LogP1.03
Rot. Bonds4

About 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide

3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide (PubChem CID 61053533) has the molecular formula C11H9ClN4O3S and a molecular weight of 312.74 g/mol. Its IUPAC name is 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
PubChem CID61053533
Molecular FormulaC11H9ClN4O3S
Molecular Weight312.74 g/mol
Exact Mass312.01
IUPAC Name3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
SMILESNC(=O)c1cccc(NS(=O)(=O)c2cnc(Cl)nc2)c1
InChIInChI=1S/C11H9ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-2-7(4-8)10(13)17/h1-6,16H,(H2,13,17)
InChIKeyNNCHNMZUQADXEB-UHFFFAOYSA-N
XLogP1.03
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 43456434
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea
CID 36510490
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]benzamide
CID 24662736
2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide
CID 61053276
3-(sulfamoylamino)benzamide
CID 57051238
3-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 61107535
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide?
The IUPAC name of 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide (CID 61053533) is 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide?
The canonical SMILES for 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide is NC(=O)c1cccc(NS(=O)(=O)c2cnc(Cl)nc2)c1.
What is the InChIKey of 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide?
The InChIKey is NNCHNMZUQADXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-2-7(4-8)10(13)17/h1-6,16H,(H2,13,17).
What are the key properties of 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide?
3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide has a molecular weight of 312.74 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 61053533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).