1-(benzenesulfonyl)cyclopropane-1-carboxamide

C10H11NO3S — CID 786446

IUPAC1-(benzenesulfonyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C10H11NO3S/c11-9(12)10(6-7-10)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)
InChIKeyUCNDETUXNFBHGI-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.48
Rot. Bonds3

About 1-(benzenesulfonyl)cyclopropane-1-carboxamide

1-(benzenesulfonyl)cyclopropane-1-carboxamide (PubChem CID 786446) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(benzenesulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)cyclopropane-1-carboxamide
PubChem CID786446
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name1-(benzenesulfonyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C10H11NO3S/c11-9(12)10(6-7-10)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)
InChIKeyUCNDETUXNFBHGI-UHFFFAOYSA-N
XLogP0.48
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)cyclopropane-1-carboxamide (CID 786446) is 1-(benzenesulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)cyclopropane-1-carboxamide is NC(=O)C1(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)cyclopropane-1-carboxamide?
The InChIKey is UCNDETUXNFBHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c11-9(12)10(6-7-10)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12).
What are the key properties of 1-(benzenesulfonyl)cyclopropane-1-carboxamide?
1-(benzenesulfonyl)cyclopropane-1-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 786446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).