N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide

C12H16Cl2N2O3S — CID 28435

IUPACN-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1
InChIInChI=1S/C12H16Cl2N2O3S/c1-10(17)15-11-2-4-12(5-3-11)20(18,19)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeyZZMBNTSBFXXLIU-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.11
Rot. Bonds7

About N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide

N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide (PubChem CID 28435) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide
PubChem CID28435
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC NameN-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1
InChIInChI=1S/C12H16Cl2N2O3S/c1-10(17)15-11-2-4-12(5-3-11)20(18,19)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17)
InChIKeyZZMBNTSBFXXLIU-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide (CID 28435) is N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1.
What is the InChIKey of N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZZMBNTSBFXXLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-10(17)15-11-2-4-12(5-3-11)20(18,19)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17).
What are the key properties of N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide?
N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 339.24 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 28435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).