N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide

C11H14ClNO2S — CID 107234005

IUPACN-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccc(CCl)cc1)C1CC1
InChIInChI=1S/C11H14ClNO2S/c12-7-9-1-3-10(4-2-9)8-13-16(14,15)11-5-6-11/h1-4,11,13H,5-8H2
InChIKeyLFOWQMZDEIILKK-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.01
Rot. Bonds5

About N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide

N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide (PubChem CID 107234005) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide
PubChem CID107234005
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccc(CCl)cc1)C1CC1
InChIInChI=1S/C11H14ClNO2S/c12-7-9-1-3-10(4-2-9)8-13-16(14,15)11-5-6-11/h1-4,11,13H,5-8H2
InChIKeyLFOWQMZDEIILKK-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 107234052
N-[(4-aminophenyl)methyl]-1,1-dioxothiane-4-sulfonamide
CID 62085292
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]cyclopentanesulfonamide
CID 105361505
N-benzylpyrrolidine-3-sulfonamide
CID 65420907
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-sulfonamide
CID 65418983
N-[(1-benzylpyrazol-3-yl)methyl]cyclopropanesulfonamide
CID 100638984
4-[[5-chloro-4-[4-[(cyclopropylsulfonylamino)methyl]anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 69263458
N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide
CID 59732240
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]cyclopropanesulfonamide
CID 24826369
2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 107234016

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide (CID 107234005) is N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide is O=S(=O)(NCc1ccc(CCl)cc1)C1CC1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide?
The InChIKey is LFOWQMZDEIILKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-7-9-1-3-10(4-2-9)8-13-16(14,15)11-5-6-11/h1-4,11,13H,5-8H2.
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide?
N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide has a molecular weight of 259.76 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 107234005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).