N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide

C15H15ClN2O3S — CID 42910401

IUPACN-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
SMILESCC(NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O3S/c1-10(13-4-2-3-5-14(13)16)18-15(19)11-6-8-12(9-7-11)22(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyXOKLOMHCSFCNTE-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.48
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide

N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide (PubChem CID 42910401) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
PubChem CID42910401
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
SMILESCC(NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O3S/c1-10(13-4-2-3-5-14(13)16)18-15(19)11-6-8-12(9-7-11)22(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyXOKLOMHCSFCNTE-UHFFFAOYSA-N
XLogP2.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
CID 55758138
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8700706
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81375650
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
N-[1-(2-chlorophenyl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487830
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide (CID 42910401) is N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide is CC(NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide?
The InChIKey is XOKLOMHCSFCNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-10(13-4-2-3-5-14(13)16)18-15(19)11-6-8-12(9-7-11)22(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide?
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide has a molecular weight of 338.82 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 42910401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).