N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide

C20H23ClN2O3S — CID 42703053

IUPACN-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide
SMILESO=C(NCCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C20H23ClN2O3S/c21-17-10-12-19(13-11-17)27(25,26)23(18-8-2-1-3-9-18)15-5-14-22-20(24)16-6-4-7-16/h1-3,8-13,16H,4-7,14-15H2,(H,22,24)
InChIKeyZJDIPQZMVWIUJO-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.84
Rot. Bonds8

About N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide

N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide (PubChem CID 42703053) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide
PubChem CID42703053
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide
SMILESO=C(NCCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C20H23ClN2O3S/c21-17-10-12-19(13-11-17)27(25,26)23(18-8-2-1-3-9-18)15-5-14-22-20(24)16-6-4-7-16/h1-3,8-13,16H,4-7,14-15H2,(H,22,24)
InChIKeyZJDIPQZMVWIUJO-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-(N-(4-chlorophenyl)sulfonylanilino)propylamino]-4-oxobutanoate
CID 42703056
2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
CID 42706776
1-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]-3-(4-ethylphenyl)urea
CID 42703058
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126145191
N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532553
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30242190
N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
CID 42705684
1-[3-(N-(4-chlorophenyl)sulfonyl-4-fluoroanilino)propyl]-3-(2-methylphenyl)urea
CID 42705753
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2176573
tert-butyl N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamate
CID 19757882
N-(2-bicyclo[2.2.1]heptanyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 2929593

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide (CID 42703053) is N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide is O=C(NCCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide?
The InChIKey is ZJDIPQZMVWIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-17-10-12-19(13-11-17)27(25,26)23(18-8-2-1-3-9-18)15-5-14-22-20(24)16-6-4-7-16/h1-3,8-13,16H,4-7,14-15H2,(H,22,24).
What are the key properties of N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide?
N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide is sourced from PubChem (CID 42703053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).