4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline

C14H16ClN3O2S — CID 61116545

IUPAC4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
SMILESNc1ccc(Cl)cc1S(=O)(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H16ClN3O2S/c15-10-5-6-11(16)14(9-10)21(19,20)18-8-2-4-13(18)12-3-1-7-17-12/h1,3,5-7,9,13,17H,2,4,8,16H2
InChIKeyNCTGHNPOBHONQE-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.78
Rot. Bonds3

About 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline

4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline (PubChem CID 61116545) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
PubChem CID61116545
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
SMILESNc1ccc(Cl)cc1S(=O)(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H16ClN3O2S/c15-10-5-6-11(16)14(9-10)21(19,20)18-8-2-4-13(18)12-3-1-7-17-12/h1,3,5-7,9,13,17H,2,4,8,16H2
InChIKeyNCTGHNPOBHONQE-UHFFFAOYSA-N
XLogP2.78
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrrole, 1-((2-amino-5-chlorophenyl)sulfonyl)-
CID 464847
1-(2-Amino-5-chloro-phenyl)sulfonylpyrrole-2-carbonitrile
CID 515929
3-Chloropyrrolo[2,1-d][1,2,5]benzothiadiazepine 5,5-dioxide
CID 471066
2-chloro-N-(2-(1-methyl-1H-pyrrol-2-yl)-2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide
CID 44055707
2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 42958826
N-(4-chloro-2-fluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 166153321
N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 167206901
2,5-dichloro-N-(2-(dimethylamino)-2-(1-methyl-1H-pyrrol-2-yl)ethyl)benzenesulfonamide
CID 44056039
4-chloro-N-[2,2,2-trichloro-1-(1h-pyrrol-2-yl)ethyl]benzenesulfonamide
CID 14362139
N-[2,2,2-trichloro-1-(1h-pyrrol-2-yl)ethyl]-benzenesulfonamide
CID 129738860
2-[(2R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 40148694
2-[(2S)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 40148695

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline?
The IUPAC name of 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline (CID 61116545) is 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline.
What is the SMILES notation for 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline?
The canonical SMILES for 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline is Nc1ccc(Cl)cc1S(=O)(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline?
The InChIKey is NCTGHNPOBHONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-10-5-6-11(16)14(9-10)21(19,20)18-8-2-4-13(18)12-3-1-7-17-12/h1,3,5-7,9,13,17H,2,4,8,16H2.
What are the key properties of 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline?
4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline has a molecular weight of 325.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline is sourced from PubChem (CID 61116545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).