3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide

C19H23ClN4O3S — CID 38529778

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H23ClN4O3S/c20-16-4-3-5-17(12-16)28(26,27)23-9-8-19(25)22-14-15-6-7-18(21-13-15)24-10-1-2-11-24/h3-7,12-13,23H,1-2,8-11,14H2,(H,22,25)
InChIKeyGWROBQTXWDZXOB-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.32
Rot. Bonds8

About 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide (PubChem CID 38529778) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
PubChem CID38529778
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H23ClN4O3S/c20-16-4-3-5-17(12-16)28(26,27)23-9-8-19(25)22-14-15-6-7-18(21-13-15)24-10-1-2-11-24/h3-7,12-13,23H,1-2,8-11,14H2,(H,22,25)
InChIKeyGWROBQTXWDZXOB-UHFFFAOYSA-N
XLogP2.32
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 55708355
3-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzene-1,3-disulfonamide
CID 55913757
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
4-chloro-N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butyl]benzamide
CID 37482931
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 37481539
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35388850
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chlorobenzenesulfonamide
CID 16890345

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide (CID 38529778) is 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is GWROBQTXWDZXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c20-16-4-3-5-17(12-16)28(26,27)23-9-8-19(25)22-14-15-6-7-18(21-13-15)24-10-1-2-11-24/h3-7,12-13,23H,1-2,8-11,14H2,(H,22,25).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 422.94 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 38529778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).