N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide

C12H14Cl2N2O3S — CID 47463830

IUPACN-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O3S/c1-20(18,19)15-7-11(17)16-12(4-5-12)8-2-3-9(13)10(14)6-8/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyMIAHRLIAVXXHPK-UHFFFAOYSA-N
MW337.23 g/mol
LogP1.65
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide

N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide (PubChem CID 47463830) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide
PubChem CID47463830
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC NameN-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O3S/c1-20(18,19)15-7-11(17)16-12(4-5-12)8-2-3-9(13)10(14)6-8/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyMIAHRLIAVXXHPK-UHFFFAOYSA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide (CID 47463830) is N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide is CS(=O)(=O)NCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide?
The InChIKey is MIAHRLIAVXXHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-20(18,19)15-7-11(17)16-12(4-5-12)8-2-3-9(13)10(14)6-8/h2-3,6,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide?
N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide has a molecular weight of 337.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 47463830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).