4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide

C21H24N2O3S — CID 110426248

IUPAC4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)cc1)C1CC1
InChIInChI=1S/C21H24N2O3S/c24-21(16-7-8-16)17-9-11-20(12-10-17)27(25,26)22-18-5-4-6-19(15-18)23-13-2-1-3-14-23/h4-6,9-12,15-16,22H,1-3,7-8,13-14H2
InChIKeyHMXJIBADTXDHHB-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.07
Rot. Bonds6

About 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide

4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110426248) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID110426248
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)cc1)C1CC1
InChIInChI=1S/C21H24N2O3S/c24-21(16-7-8-16)17-9-11-20(12-10-17)27(25,26)22-18-5-4-6-19(15-18)23-13-2-1-3-14-23/h4-6,9-12,15-16,22H,1-3,7-8,13-14H2
InChIKeyHMXJIBADTXDHHB-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 110425307
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647
4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362146
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
CID 1314014
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
CID 110361652
N-[4-(cyclopropanecarbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 110604241
4-(prop-2-enylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813935
cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110412122

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide (CID 110426248) is 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3)c2)cc1)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is HMXJIBADTXDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-21(16-7-8-16)17-9-11-20(12-10-17)27(25,26)22-18-5-4-6-19(15-18)23-13-2-1-3-14-23/h4-6,9-12,15-16,22H,1-3,7-8,13-14H2.
What are the key properties of 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide?
4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110426248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).