1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide

C14H14Cl2N2O4S2 — CID 163924454

IUPAC1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(-c2ccc(NS(=O)(=O)CCl)cc2)cc1
InChIInChI=1S/C14H14Cl2N2O4S2/c15-9-23(19,20)17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-24(21,22)10-16/h1-8,17-18H,9-10H2
InChIKeyRDGHDDVSZCBOLL-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.23
Rot. Bonds7

About 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide

1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide (PubChem CID 163924454) has the molecular formula C14H14Cl2N2O4S2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
PubChem CID163924454
Molecular FormulaC14H14Cl2N2O4S2
Molecular Weight409.32 g/mol
Exact Mass407.98
IUPAC Name1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(-c2ccc(NS(=O)(=O)CCl)cc2)cc1
InChIInChI=1S/C14H14Cl2N2O4S2/c15-9-23(19,20)17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-24(21,22)10-16/h1-8,17-18H,9-10H2
InChIKeyRDGHDDVSZCBOLL-UHFFFAOYSA-N
XLogP3.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide (CID 163924454) is 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide is O=S(=O)(CCl)Nc1ccc(-c2ccc(NS(=O)(=O)CCl)cc2)cc1.
What is the InChIKey of 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide?
The InChIKey is RDGHDDVSZCBOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S2/c15-9-23(19,20)17-13-5-1-11(2-6-13)12-3-7-14(8-4-12)18-24(21,22)10-16/h1-8,17-18H,9-10H2.
What are the key properties of 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide?
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide has a molecular weight of 409.32 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 163924454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).