2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide

C16H17ClF2N2O4S2 — CID 17482033

IUPAC2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C16H17ClF2N2O4S2/c1-3-21(4-2)27(24,25)16-10-12(6-7-13(16)17)20-26(22,23)15-8-5-11(18)9-14(15)19/h5-10,20H,3-4H2,1-2H3
InChIKeyJOJPWPODDQUZLG-UHFFFAOYSA-N
MW438.91 g/mol
LogP3.45
Rot. Bonds7

About 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide

2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide (PubChem CID 17482033) has the molecular formula C16H17ClF2N2O4S2 and a molecular weight of 438.91 g/mol. Its IUPAC name is 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide
PubChem CID17482033
Molecular FormulaC16H17ClF2N2O4S2
Molecular Weight438.91 g/mol
Exact Mass438.03
IUPAC Name2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C16H17ClF2N2O4S2/c1-3-21(4-2)27(24,25)16-10-12(6-7-13(16)17)20-26(22,23)15-8-5-11(18)9-14(15)19/h5-10,20H,3-4H2,1-2H3
InChIKeyJOJPWPODDQUZLG-UHFFFAOYSA-N
XLogP3.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide (CID 17482033) is 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide?
The InChIKey is JOJPWPODDQUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2O4S2/c1-3-21(4-2)27(24,25)16-10-12(6-7-13(16)17)20-26(22,23)15-8-5-11(18)9-14(15)19/h5-10,20H,3-4H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide?
2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide has a molecular weight of 438.91 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,4-difluorophenyl)sulfonylamino]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 17482033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).