4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide

C16H13ClN4O4S2 — CID 1164215

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O4S2/c17-12-2-6-14(7-3-12)26(22,23)20-13-4-8-15(9-5-13)27(24,25)21-16-18-10-1-11-19-16/h1-11,20H,(H,18,19,21)
InChIKeyNKJNIWOVEMHVKQ-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.73
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide

4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 1164215) has the molecular formula C16H13ClN4O4S2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID1164215
Molecular FormulaC16H13ClN4O4S2
Molecular Weight424.89 g/mol
Exact Mass424.01
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O4S2/c17-12-2-6-14(7-3-12)26(22,23)20-13-4-8-15(9-5-13)27(24,25)21-16-18-10-1-11-19-16/h1-11,20H,(H,18,19,21)
InChIKeyNKJNIWOVEMHVKQ-UHFFFAOYSA-N
XLogP2.73
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 5215
CID 5215
CID 5325
CID 5325
CID 441244
CID 441244
CID 68933
CID 68933
CID 15899898
CID 15899898
CID 15899899
CID 15899899
CID 70702156
CID 70702156
CID 31036
CID 31036
CID 70702151
CID 70702151
CID 70702161
CID 70702161
CID 792707
CID 792707
CID 935725
CID 935725

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide (CID 1164215) is 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is NKJNIWOVEMHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O4S2/c17-12-2-6-14(7-3-12)26(22,23)20-13-4-8-15(9-5-13)27(24,25)21-16-18-10-1-11-19-16/h1-11,20H,(H,18,19,21).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 424.89 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1164215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).