2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide

C11H6Cl2N4O2S — CID 61053173

IUPAC2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1Cl
InChIInChI=1S/C11H6Cl2N4O2S/c12-10-2-1-8(3-7(10)4-14)17-20(18,19)9-5-15-11(13)16-6-9/h1-3,5-6,17H
InChIKeyHUMUXKJERGTJBG-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.46
Rot. Bonds3

About 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide

2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide (PubChem CID 61053173) has the molecular formula C11H6Cl2N4O2S and a molecular weight of 329.17 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
PubChem CID61053173
Molecular FormulaC11H6Cl2N4O2S
Molecular Weight329.17 g/mol
Exact Mass327.96
IUPAC Name2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1Cl
InChIInChI=1S/C11H6Cl2N4O2S/c12-10-2-1-8(3-7(10)4-14)17-20(18,19)9-5-15-11(13)16-6-9/h1-3,5-6,17H
InChIKeyHUMUXKJERGTJBG-UHFFFAOYSA-N
XLogP2.46
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 65480606
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
1-N-(4-chloro-3-cyanophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31782478
N-(4-chloro-3-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299415
2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351
4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 61107705
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 43456434
3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
CID 43456451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide (CID 61053173) is 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide is N#Cc1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide?
The InChIKey is HUMUXKJERGTJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O2S/c12-10-2-1-8(3-7(10)4-14)17-20(18,19)9-5-15-11(13)16-6-9/h1-3,5-6,17H.
What are the key properties of 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide?
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide has a molecular weight of 329.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61053173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).