2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol

C18H22ClN3O3S — CID 133472179

IUPAC2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)(CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-18(23,15-6-2-3-7-16(15)19)13-21-17-9-8-14(12-20-17)26(24,25)22-10-4-5-11-22/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3,(H,20,21)
InChIKeyYUOZBODJXFIBKE-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.84
Rot. Bonds6

About 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol

2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol (PubChem CID 133472179) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
PubChem CID133472179
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)(CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-18(23,15-6-2-3-7-16(15)19)13-21-17-9-8-14(12-20-17)26(24,25)22-10-4-5-11-22/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3,(H,20,21)
InChIKeyYUOZBODJXFIBKE-UHFFFAOYSA-N
XLogP2.84
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 133332233
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472163
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2547545
N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195727

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol (CID 133472179) is 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol is CC(O)(CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol?
The InChIKey is YUOZBODJXFIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-18(23,15-6-2-3-7-16(15)19)13-21-17-9-8-14(12-20-17)26(24,25)22-10-4-5-11-22/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol?
2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol has a molecular weight of 395.91 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 133472179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).