4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide

C16H18ClN3O3S — CID 654714

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide
SMILESCN(CCCC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-20(24(22,23)15-6-4-13(17)5-7-15)12-2-3-16(21)19-14-8-10-18-11-9-14/h4-11H,2-3,12H2,1H3,(H,18,19,21)
InChIKeyYUDSUPLURQDPCG-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.77
Rot. Bonds7

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide (PubChem CID 654714) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide
PubChem CID654714
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide
SMILESCN(CCCC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-20(24(22,23)15-6-4-13(17)5-7-15)12-2-3-16(21)19-14-8-10-18-11-9-14/h4-11H,2-3,12H2,1H3,(H,18,19,21)
InChIKeyYUDSUPLURQDPCG-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide (CID 654714) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide is CN(CCCC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide?
The InChIKey is YUDSUPLURQDPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-20(24(22,23)15-6-4-13(17)5-7-15)12-2-3-16(21)19-14-8-10-18-11-9-14/h4-11H,2-3,12H2,1H3,(H,18,19,21).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide has a molecular weight of 367.86 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 654714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).