1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide

C13H16ClNO3S — CID 3248781

IUPAC1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO3S/c1-9(2)15-12(16)13(7-8-13)19(17,18)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyDHWFNVAAJYTBPC-UHFFFAOYSA-N
MW301.80 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 3248781) has the molecular formula C13H16ClNO3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID3248781
Molecular FormulaC13H16ClNO3S
Molecular Weight301.80 g/mol
Exact Mass301.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO3S/c1-9(2)15-12(16)13(7-8-13)19(17,18)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyDHWFNVAAJYTBPC-UHFFFAOYSA-N
XLogP2.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 3248781) is 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is DHWFNVAAJYTBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-9(2)15-12(16)13(7-8-13)19(17,18)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 301.80 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 3248781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).