2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide

C10H8Cl2N4O2S — CID 116794766

IUPAC2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H8Cl2N4O2S/c11-6-1-2-8(7(13)5-6)19(17,18)16-9-3-4-14-10(12)15-9/h1-5H,13H2,(H,14,15,16)
InChIKeyLKQGNRXWBTXUPL-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide

2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide (PubChem CID 116794766) has the molecular formula C10H8Cl2N4O2S and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
PubChem CID116794766
Molecular FormulaC10H8Cl2N4O2S
Molecular Weight319.17 g/mol
Exact Mass317.97
IUPAC Name2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H8Cl2N4O2S/c11-6-1-2-8(7(13)5-6)19(17,18)16-9-3-4-14-10(12)15-9/h1-5H,13H2,(H,14,15,16)
InChIKeyLKQGNRXWBTXUPL-UHFFFAOYSA-N
XLogP2.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794764
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794709
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
CID 116795237
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911673

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide (CID 116794766) is 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide?
The InChIKey is LKQGNRXWBTXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2S/c11-6-1-2-8(7(13)5-6)19(17,18)16-9-3-4-14-10(12)15-9/h1-5H,13H2,(H,14,15,16).
What are the key properties of 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide?
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide has a molecular weight of 319.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 116794766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).