N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide

C14H14ClN3O3S — CID 902009

IUPACN-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide
SMILESCCC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3S/c1-2-13(19)18-22(20,21)12-4-3-9-16-14(12)17-11-7-5-10(15)6-8-11/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyZUKMTPQHCCRDHK-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.69
Rot. Bonds5

About N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide

N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide (PubChem CID 902009) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound NameN-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide
PubChem CID902009
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC NameN-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide
SMILESCCC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3S/c1-2-13(19)18-22(20,21)12-4-3-9-16-14(12)17-11-7-5-10(15)6-8-11/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyZUKMTPQHCCRDHK-UHFFFAOYSA-N
XLogP2.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58638
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
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4-chloro-N-(pyridin-2-yl)benzenesulfonamide
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N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
N-{4-[(2-pyridylamino)sulfonyl]phenyl}propanamide
CID 725106
2-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725117
2,2,2-trifluoro-N-{4-[(2-pyridinylamino)sulfonyl]phenyl}acetamide
CID 977456
2-(4-acetamidophenyl)sulfanyl-N-(5-chloropyridin-2-yl)acetamide
CID 2100279
2-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)acetamide
CID 2985129
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967
AJ-333/36115006
CID 902012

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide?
The IUPAC name of N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide (CID 902009) is N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide is CCC(=O)NS(=O)(=O)c1cccnc1Nc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide?
The InChIKey is ZUKMTPQHCCRDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-2-13(19)18-22(20,21)12-4-3-9-16-14(12)17-11-7-5-10(15)6-8-11/h3-9H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide?
N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide has a molecular weight of 339.80 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloroanilino)-3-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 902009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).