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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Related Compounds

N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-pyridin-3-ylacetamide
CID 4879904
1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 649951
[(4-Chlorophenyl)sulfonyl]-4-pyridylamine
CID 674932
1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6462258
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 44444075
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444077
3,4-Dichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839468
2-{[(4-chlorophenyl)sulfonyl]cyclohexylamino}-N-(3-pyridylmethyl)acetamide
CID 1154648
4-(3-Chloroanilino)-3-({[(ethylamino)carbonyl]amino}sulfonyl)pyridine
CID 1214489
N~2~-methyl-N~2~-(phenylsulfonyl)-N~1~-4-pyridinylglycinamide
CID 2219871

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).