N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C15H15ClFN3O3S — CID 36621427

IUPACN-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)c[nH]1)N1CCCC1
InChIInChI=1S/C15H15ClFN3O3S/c16-10-3-4-13(12(17)7-10)19-24(22,23)11-8-14(18-9-11)15(21)20-5-1-2-6-20/h3-4,7-9,18-19H,1-2,5-6H2
InChIKeyZMTYGQFEZFHLEE-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.84
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 36621427) has the molecular formula C15H15ClFN3O3S and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID36621427
Molecular FormulaC15H15ClFN3O3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESO=C(c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)c[nH]1)N1CCCC1
InChIInChI=1S/C15H15ClFN3O3S/c16-10-3-4-13(12(17)7-10)19-24(22,23)11-8-14(18-9-11)15(21)20-5-1-2-6-20/h3-4,7-9,18-19H,1-2,5-6H2
InChIKeyZMTYGQFEZFHLEE-UHFFFAOYSA-N
XLogP2.84
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621565
N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777456
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60579174
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
N-[1-(2-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018887
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 60534962
(3S)-N-(2,4-difluorophenyl)-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 97044101
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
N-(4-chloro-2-fluorophenyl)-3,5,6-trimethyl-2-(pyrrolidine-1-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105093
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 36621427) is N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is O=C(c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)c[nH]1)N1CCCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is ZMTYGQFEZFHLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3S/c16-10-3-4-13(12(17)7-10)19-24(22,23)11-8-14(18-9-11)15(21)20-5-1-2-6-20/h3-4,7-9,18-19H,1-2,5-6H2.
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 371.82 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 36621427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).