3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide

C16H16ClN3O4S2 — CID 8603431

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NC1=NCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClN3O4S2/c17-12-6-8-14(9-7-12)25(21,22)19-13-3-1-4-15(11-13)26(23,24)20-16-5-2-10-18-16/h1,3-4,6-9,11,19H,2,5,10H2,(H,18,20)
InChIKeyLPUAMLFNGDTQTA-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.61
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide

3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide (PubChem CID 8603431) has the molecular formula C16H16ClN3O4S2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
PubChem CID8603431
Molecular FormulaC16H16ClN3O4S2
Molecular Weight413.91 g/mol
Exact Mass413.03
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NC1=NCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClN3O4S2/c17-12-6-8-14(9-7-12)25(21,22)19-13-3-1-4-15(11-13)26(23,24)20-16-5-2-10-18-16/h1,3-4,6-9,11,19H,2,5,10H2,(H,18,20)
InChIKeyLPUAMLFNGDTQTA-UHFFFAOYSA-N
XLogP2.61
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 3898979
2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-nitrobenzenesulfonamide
CID 4518078
4-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 4787223
3-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 4833337
N-(3,4-dihydro-2H-pyrrol-5-yl)-3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
CID 4868712
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N'-(4-fluorophenyl)-N-methylethanimidamide
CID 90683507
4-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4969516
N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
CID 7594385
4-chloro-2-fluoro-N-(3-sulfamoylphenyl)benzenesulfonamide
CID 8190924
4-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzenesulfonamide
CID 8193054
4-chloro-2-fluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 24421857
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-difluorobenzenesulfonamide
CID 24422419

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide (CID 8603431) is 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide is O=S(=O)(NC1=NCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
The InChIKey is LPUAMLFNGDTQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S2/c17-12-6-8-14(9-7-12)25(21,22)19-13-3-1-4-15(11-13)26(23,24)20-16-5-2-10-18-16/h1,3-4,6-9,11,19H,2,5,10H2,(H,18,20).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide has a molecular weight of 413.91 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide is sourced from PubChem (CID 8603431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).