N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C18H19N5O3S — CID 47062932

IUPACN-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c[nH]1)N1CCCC1
InChIInChI=1S/C18H19N5O3S/c24-18(22-8-1-2-9-22)17-12-16(13-19-17)27(25,26)21-14-5-3-6-15(11-14)23-10-4-7-20-23/h3-7,10-13,19,21H,1-2,8-9H2
InChIKeyBMYZAEYTTOLRBA-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.24
Rot. Bonds5

About N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 47062932) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID47062932
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c[nH]1)N1CCCC1
InChIInChI=1S/C18H19N5O3S/c24-18(22-8-1-2-9-22)17-12-16(13-19-17)27(25,26)21-14-5-3-6-15(11-14)23-10-4-7-20-23/h3-7,10-13,19,21H,1-2,8-9H2
InChIKeyBMYZAEYTTOLRBA-UHFFFAOYSA-N
XLogP2.24
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 47062932) is N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is O=C(c1cc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c[nH]1)N1CCCC1.
What is the InChIKey of N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is BMYZAEYTTOLRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c24-18(22-8-1-2-9-22)17-12-16(13-19-17)27(25,26)21-14-5-3-6-15(11-14)23-10-4-7-20-23/h3-7,10-13,19,21H,1-2,8-9H2.
What are the key properties of N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 47062932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).