N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide

C20H22N2O3S — CID 11164580

IUPACN-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c23-26(24,17-4-2-1-3-5-17)22-16-6-7-20-19(14-16)18(10-13-25-20)15-8-11-21-12-9-15/h1-7,10,14-15,21-22H,8-9,11-13H2
InChIKeyBODRPSOPTJLQKC-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.26
Rot. Bonds4

About N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide

N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide (PubChem CID 11164580) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide
PubChem CID11164580
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c23-26(24,17-4-2-1-3-5-17)22-16-6-7-20-19(14-16)18(10-13-25-20)15-8-11-21-12-9-15/h1-7,10,14-15,21-22H,8-9,11-13H2
InChIKeyBODRPSOPTJLQKC-UHFFFAOYSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rel-N-[4-Methoxy-3-[[[(2R,3R)-2-phenyl-3-piperidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide
CID 10363809
N-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanesulfonamide
CID 18428690
N-[4-(benzyloxy)phenyl]benzenesulfonamide
CID 799154
4-({2-[(2-Fluorobenzyl)oxy]benzyl}amino)benzenesulfonamide
CID 979802
N-(3-(2-aminoethyl)-4-methoxyphenyl)benzenesulfonamide
CID 11849204
4-phenoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526707
4-amino-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127026147
4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127027387
US9670136, 48 N-(4'-((trans)-2-((4-aminocyclohexyl)amino)cyclopropyl)-6-methoxy-[1,1'-biphenyl]-3-yl)methanesulfonamide
CID 134686750
4-({2-[(4-Fluorobenzyl)oxy]benzyl}amino)benzenesulfonamide
CID 979801
N-{2-[(4-ethoxyphenyl)(methyl)amino]-2-phenylethyl}benzenesulfonamide
CID 16012687
4-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 16028288

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide?
The IUPAC name of N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide (CID 11164580) is N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide?
The canonical SMILES for N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1ccccc1.
What is the InChIKey of N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide?
The InChIKey is BODRPSOPTJLQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-26(24,17-4-2-1-3-5-17)22-16-6-7-20-19(14-16)18(10-13-25-20)15-8-11-21-12-9-15/h1-7,10,14-15,21-22H,8-9,11-13H2.
What are the key properties of N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide?
N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-yl-2H-chromen-6-yl)benzenesulfonamide is sourced from PubChem (CID 11164580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).