N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide

C19H16ClFN2O4S2 — CID 1321128

IUPACN-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16ClFN2O4S2/c1-13-18(20)3-2-4-19(13)23-29(26,27)17-11-7-15(8-12-17)22-28(24,25)16-9-5-14(21)6-10-16/h2-12,22-23H,1H3
InChIKeyUJNSFELOJLNLCY-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.39
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide

N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide (PubChem CID 1321128) has the molecular formula C19H16ClFN2O4S2 and a molecular weight of 454.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
PubChem CID1321128
Molecular FormulaC19H16ClFN2O4S2
Molecular Weight454.93 g/mol
Exact Mass454.02
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16ClFN2O4S2/c1-13-18(20)3-2-4-19(13)23-29(26,27)17-11-7-15(8-12-17)22-28(24,25)16-9-5-14(21)6-10-16/h2-12,22-23H,1H3
InChIKeyUJNSFELOJLNLCY-UHFFFAOYSA-N
XLogP4.39
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide (CID 1321128) is N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is UJNSFELOJLNLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4S2/c1-13-18(20)3-2-4-19(13)23-29(26,27)17-11-7-15(8-12-17)22-28(24,25)16-9-5-14(21)6-10-16/h2-12,22-23H,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide?
N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 454.93 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 1321128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).