N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide

C19H23N3O3S — CID 119301276

IUPACN-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C19H23N3O3S/c23-19(16-8-6-12-20-13-16)21-14-15-7-4-5-11-18(15)22-26(24,25)17-9-2-1-3-10-17/h1-5,7,9-11,16,20,22H,6,8,12-14H2,(H,21,23)
InChIKeyZAUALSIRFKQRQI-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.10
Rot. Bonds6

About N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide

N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119301276) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119301276
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C19H23N3O3S/c23-19(16-8-6-12-20-13-16)21-14-15-7-4-5-11-18(15)22-26(24,25)17-9-2-1-3-10-17/h1-5,7,9-11,16,20,22H,6,8,12-14H2,(H,21,23)
InChIKeyZAUALSIRFKQRQI-UHFFFAOYSA-N
XLogP2.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745101
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564

Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide (CID 119301276) is N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)C1CCCNC1.
What is the InChIKey of N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ZAUALSIRFKQRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(16-8-6-12-20-13-16)21-14-15-7-4-5-11-18(15)22-26(24,25)17-9-2-1-3-10-17/h1-5,7,9-11,16,20,22H,6,8,12-14H2,(H,21,23).
What are the key properties of N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide?
N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119301276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).