N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C17H14ClN3O3S — CID 51347212

IUPACN-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccccc2Cl)c1)c1ccccn1
InChIInChI=1S/C17H14ClN3O3S/c18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h1-11H,12H2,(H,20,22)
InChIKeyMEGDFHWVDNNSJG-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.17
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 51347212) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID51347212
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC NameN-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccccc2Cl)c1)c1ccccn1
InChIInChI=1S/C17H14ClN3O3S/c18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h1-11H,12H2,(H,20,22)
InChIKeyMEGDFHWVDNNSJG-UHFFFAOYSA-N
XLogP3.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1316771
CID 1316771
CID 49865452
CID 49865452
CID 52913077
CID 52913077
CID 52913659
CID 52913659
CID 52913660
CID 52913660
CID 52913768
CID 52913768
CID 52913772
CID 52913772
CID 52913885
CID 52913885
CID 52914100
CID 52914100
CID 52914105
CID 52914105
CID 52914310
CID 52914310
CID 52914548
CID 52914548

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 51347212) is N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2Cl)c1)c1ccccn1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is MEGDFHWVDNNSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h1-11H,12H2,(H,20,22).
What are the key properties of N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 51347212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).