N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide

C19H21ClN2O3S — CID 37002294

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C19H21ClN2O3S/c20-17-5-1-3-14(11-17)9-10-21-19(23)16-4-2-6-18(12-16)26(24,25)22-13-15-7-8-15/h1-6,11-12,15,22H,7-10,13H2,(H,21,23)
InChIKeyXOIMXIUPHYCTEW-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide

N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide (PubChem CID 37002294) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
PubChem CID37002294
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C19H21ClN2O3S/c20-17-5-1-3-14(11-17)9-10-21-19(23)16-4-2-6-18(12-16)26(24,25)22-13-15-7-8-15/h1-6,11-12,15,22H,7-10,13H2,(H,21,23)
InChIKeyXOIMXIUPHYCTEW-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenyl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109062317
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-[2-(3-chlorophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31251417
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062685
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-(cyclopropylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 86981028

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide (CID 37002294) is N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide is O=C(NCCc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide?
The InChIKey is XOIMXIUPHYCTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-17-5-1-3-14(11-17)9-10-21-19(23)16-4-2-6-18(12-16)26(24,25)22-13-15-7-8-15/h1-6,11-12,15,22H,7-10,13H2,(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide?
N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide has a molecular weight of 392.91 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide is sourced from PubChem (CID 37002294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).