(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C19H22ClN3O3S — CID 16609645

IUPAC(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22ClN3O3S/c1-14(2)21-18-7-3-4-12-23(18)19(24)15-8-9-16(20)17(13-15)27(25,26)22-10-5-6-11-22/h3-4,7-9,12-14H,5-6,10-11H2,1-2H3/b21-18+
InChIKeyZDMYGUYNYZVGCZ-DYTRJAOYSA-N
MW407.92 g/mol
LogP2.92
Rot. Bonds4

About (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 16609645) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID16609645
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22ClN3O3S/c1-14(2)21-18-7-3-4-12-23(18)19(24)15-8-9-16(20)17(13-15)27(25,26)22-10-5-6-11-22/h3-4,7-9,12-14H,5-6,10-11H2,1-2H3/b21-18+
InChIKeyZDMYGUYNYZVGCZ-DYTRJAOYSA-N
XLogP2.92
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-chloro-N-[(2S)-3-methylbutan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8923234
(1-oxo-1-phenylpropan-2-yl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate
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N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2543514
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 7424627
4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 78774797
[(1R)-1-cyanoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513793
3-(azepan-1-ylsulfonyl)-4-chloro-N-methyl-N-(2-methylpropyl)benzamide
CID 134058564
4-chloro-N-methyl-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 134058596
4-chloro-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25372449
[(2S)-1-anilino-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513774

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 16609645) is (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is ZDMYGUYNYZVGCZ-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-14(2)21-18-7-3-4-12-23(18)19(24)15-8-9-16(20)17(13-15)27(25,26)22-10-5-6-11-22/h3-4,7-9,12-14H,5-6,10-11H2,1-2H3/b21-18+.
What are the key properties of (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 407.92 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 16609645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).