2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide

C14H18Cl2N2O3S — CID 2228727

IUPAC2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(Cl)Cl
InChIInChI=1S/C14H18Cl2N2O3S/c15-13(16)14(19)17-10-6-8-12(9-7-10)22(20,21)18-11-4-2-1-3-5-11/h6-9,11,13,18H,1-5H2,(H,17,19)
InChIKeyNLJBZABDYVBFSS-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.04
Rot. Bonds5

About 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide

2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide (PubChem CID 2228727) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
PubChem CID2228727
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC Name2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(Cl)Cl
InChIInChI=1S/C14H18Cl2N2O3S/c15-13(16)14(19)17-10-6-8-12(9-7-10)22(20,21)18-11-4-2-1-3-5-11/h6-9,11,13,18H,1-5H2,(H,17,19)
InChIKeyNLJBZABDYVBFSS-UHFFFAOYSA-N
XLogP3.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.04
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

(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-3-methoxy-2-methylpropanamide
CID 124843343
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 2973953
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
trans-(1S,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51570846
cis-(1S,2R)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839068
cis-(1R,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1015007
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide (CID 2228727) is 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide is O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide?
The InChIKey is NLJBZABDYVBFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c15-13(16)14(19)17-10-6-8-12(9-7-10)22(20,21)18-11-4-2-1-3-5-11/h6-9,11,13,18H,1-5H2,(H,17,19).
What are the key properties of 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide?
2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide has a molecular weight of 365.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2228727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).