4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide

C18H20N2O3S — CID 110607148

IUPAC4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCCCc2cccnc2)cc1)C1CC1
InChIInChI=1S/C18H20N2O3S/c21-18(15-5-6-15)16-7-9-17(10-8-16)24(22,23)20-12-2-4-14-3-1-11-19-13-14/h1,3,7-11,13,15,20H,2,4-6,12H2
InChIKeyIKARRMPFPQXQDM-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.59
Rot. Bonds8

About 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide

4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide (PubChem CID 110607148) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
PubChem CID110607148
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCCCc2cccnc2)cc1)C1CC1
InChIInChI=1S/C18H20N2O3S/c21-18(15-5-6-15)16-7-9-17(10-8-16)24(22,23)20-12-2-4-14-3-1-11-19-13-14/h1,3,7-11,13,15,20H,2,4-6,12H2
InChIKeyIKARRMPFPQXQDM-UHFFFAOYSA-N
XLogP2.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
2-acetyl-N-(3-pyridin-3-ylpropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110616042
6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
CID 10319970
3-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-pyridin-3-ylheptanoic acid
CID 57232810

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide (CID 110607148) is 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCCCc2cccnc2)cc1)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
The InChIKey is IKARRMPFPQXQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(15-5-6-15)16-7-9-17(10-8-16)24(22,23)20-12-2-4-14-3-1-11-19-13-14/h1,3,7-11,13,15,20H,2,4-6,12H2.
What are the key properties of 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide?
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 110607148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).