1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

C18H19ClN2O5S2 — CID 15996712

IUPAC1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClN2O5S2/c19-14-3-7-15(8-4-14)27(23,24)18(10-11-18)17(22)21-12-9-13-1-5-16(6-2-13)28(20,25)26/h1-8H,9-12H2,(H,21,22)(H2,20,25,26)
InChIKeyVPQTWMUTRDNJLV-UHFFFAOYSA-N
MW442.95 g/mol
LogP1.65
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 15996712) has the molecular formula C18H19ClN2O5S2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID15996712
Molecular FormulaC18H19ClN2O5S2
Molecular Weight442.95 g/mol
Exact Mass442.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H19ClN2O5S2/c19-14-3-7-15(8-4-14)27(23,24)18(10-11-18)17(22)21-12-9-13-1-5-16(6-2-13)28(20,25)26/h1-8H,9-12H2,(H,21,22)(H2,20,25,26)
InChIKeyVPQTWMUTRDNJLV-UHFFFAOYSA-N
XLogP1.65
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (CID 15996712) is 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is VPQTWMUTRDNJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S2/c19-14-3-7-15(8-4-14)27(23,24)18(10-11-18)17(22)21-12-9-13-1-5-16(6-2-13)28(20,25)26/h1-8H,9-12H2,(H,21,22)(H2,20,25,26).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 15996712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).