N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide

C14H19ClN2O3S — CID 114758572

IUPACN-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(CCCl)CC2)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-11(18)17-12-2-4-13(5-3-12)21(19,20)16-10-14(6-7-14)8-9-15/h2-5,16H,6-10H2,1H3,(H,17,18)
InChIKeyNHFYXPKTLVSZJK-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.33
Rot. Bonds7

About N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide

N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 114758572) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
PubChem CID114758572
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2(CCCl)CC2)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-11(18)17-12-2-4-13(5-3-12)21(19,20)16-10-14(6-7-14)8-9-15/h2-5,16H,6-10H2,1H3,(H,17,18)
InChIKeyNHFYXPKTLVSZJK-UHFFFAOYSA-N
XLogP2.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114758607
1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide (CID 114758572) is N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC2(CCCl)CC2)cc1.
What is the InChIKey of N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is NHFYXPKTLVSZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-11(18)17-12-2-4-13(5-3-12)21(19,20)16-10-14(6-7-14)8-9-15/h2-5,16H,6-10H2,1H3,(H,17,18).
What are the key properties of N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 330.84 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-chloroethyl)cyclopropyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 114758572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).