N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide

C18H21ClN2O3S — CID 101456456

IUPACN-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide
SMILESCC(=O)c1ccc(C(CCCCCl)NS(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-14(22)15-8-10-16(11-9-15)17(6-2-4-12-19)21-25(23,24)18-7-3-5-13-20-18/h3,5,7-11,13,17,21H,2,4,6,12H2,1H3
InChIKeyLPLOGCBLUUJUEZ-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.71
Rot. Bonds9

About N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide

N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide (PubChem CID 101456456) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide
PubChem CID101456456
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide
SMILESCC(=O)c1ccc(C(CCCCCl)NS(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-14(22)15-8-10-16(11-9-15)17(6-2-4-12-19)21-25(23,24)18-7-3-5-13-20-18/h3,5,7-11,13,17,21H,2,4,6,12H2,1H3
InChIKeyLPLOGCBLUUJUEZ-UHFFFAOYSA-N
XLogP3.71
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
N-(4-acetyl-2-bromophenyl)pyridine-2-sulfonamide
CID 166442519
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 101377414
2,2,2-trichloroethyl N-[1-[4-(4-acetylphenyl)phenyl]hexyl]sulfamate
CID 147662671
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
N-(1-pyridin-2-yltridecyl)benzenesulfonamide
CID 54173262
N-[(1S)-1-naphthalen-1-ylethyl]pyridine-2-sulfonamide
CID 11289932
methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate
CID 15431612
N-(2,2-dimethoxyethyl)pyridine-2-sulfonamide
CID 86048885
tert-butyl 2-[[6-[2-(4-hexan-2-ylphenyl)-1-(pyridin-2-ylsulfonylamino)ethyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86672258
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide?
The IUPAC name of N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide (CID 101456456) is N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide is CC(=O)c1ccc(C(CCCCCl)NS(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide?
The InChIKey is LPLOGCBLUUJUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14(22)15-8-10-16(11-9-15)17(6-2-4-12-19)21-25(23,24)18-7-3-5-13-20-18/h3,5,7-11,13,17,21H,2,4,6,12H2,1H3.
What are the key properties of N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide?
N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylphenyl)-5-chloropentyl]pyridine-2-sulfonamide is sourced from PubChem (CID 101456456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).