1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide

C15H18ClN3O3S — CID 515942

IUPAC1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H18ClN3O3S/c1-3-18(4-2)15(20)13-6-5-9-19(13)23(21,22)14-10-11(16)7-8-12(14)17/h5-10H,3-4,17H2,1-2H3
InChIKeyPBGPZGZHDFWMDI-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide

1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide (PubChem CID 515942) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide
PubChem CID515942
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H18ClN3O3S/c1-3-18(4-2)15(20)13-6-5-9-19(13)23(21,22)14-10-11(16)7-8-12(14)17/h5-10H,3-4,17H2,1-2H3
InChIKeyPBGPZGZHDFWMDI-UHFFFAOYSA-N
XLogP2.44
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide?
The IUPAC name of 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide (CID 515942) is 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide is CCN(CC)C(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide?
The InChIKey is PBGPZGZHDFWMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-3-18(4-2)15(20)13-6-5-9-19(13)23(21,22)14-10-11(16)7-8-12(14)17/h5-10H,3-4,17H2,1-2H3.
What are the key properties of 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide?
1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide has a molecular weight of 355.85 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)sulfonyl-N,N-diethylpyrrole-2-carboxamide is sourced from PubChem (CID 515942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).