2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide

C19H21ClN2O3S — CID 49195798

IUPAC2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CC2c2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-3-26(24,25)22-18-8-7-15(9-12(18)2)21-19(23)17-11-16(17)13-5-4-6-14(20)10-13/h4-10,16-17,22H,3,11H2,1-2H3,(H,21,23)
InChIKeyVLKVBNMATUQODJ-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.15
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 49195798) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide
PubChem CID49195798
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C2CC2c2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H21ClN2O3S/c1-3-26(24,25)22-18-8-7-15(9-12(18)2)21-19(23)17-11-16(17)13-5-4-6-14(20)10-13/h4-10,16-17,22H,3,11H2,1-2H3,(H,21,23)
InChIKeyVLKVBNMATUQODJ-UHFFFAOYSA-N
XLogP4.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13322326
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CID 38297560
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CID 47067377
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CID 40889574
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CID 117853028
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CID 16927605
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CID 40889606
CID 40889606

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide (CID 49195798) is 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)C2CC2c2cccc(Cl)c2)cc1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is VLKVBNMATUQODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-3-26(24,25)22-18-8-7-15(9-12(18)2)21-19(23)17-11-16(17)13-5-4-6-14(20)10-13/h4-10,16-17,22H,3,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 49195798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).