N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide

C19H19N3O3S — CID 33161452

IUPACN-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESN#Cc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H19N3O3S/c20-14-15-5-4-6-16(13-15)19(23)22-11-9-17(10-12-22)21-26(24,25)18-7-2-1-3-8-18/h1-8,13,17,21H,9-12H2
InChIKeyIKYYFWBGDPFFDS-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.14
Rot. Bonds4

About N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide

N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 33161452) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID33161452
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESN#Cc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H19N3O3S/c20-14-15-5-4-6-16(13-15)19(23)22-11-9-17(10-12-22)21-26(24,25)18-7-2-1-3-8-18/h1-8,13,17,21H,9-12H2
InChIKeyIKYYFWBGDPFFDS-UHFFFAOYSA-N
XLogP2.14
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55731324
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108567195
N-[3-[4-(benzenesulfonamido)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55634720
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
CID 108808703
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]benzonitrile
CID 71809004
1-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-propylurea
CID 110820501

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide (CID 33161452) is N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide is N#Cc1cccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is IKYYFWBGDPFFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c20-14-15-5-4-6-16(13-15)19(23)22-11-9-17(10-12-22)21-26(24,25)18-7-2-1-3-8-18/h1-8,13,17,21H,9-12H2.
What are the key properties of N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 33161452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).