N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H22N2O2S — CID 60600410

IUPACN-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESC=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H22N2O2S/c1-2-12-23(16-18-7-5-6-17(13-18)15-22)26(24,25)21-11-10-19-8-3-4-9-20(19)14-21/h2,5-7,10-11,13-14H,1,3-4,8-9,12,16H2
InChIKeyYINBYNDLDAYWRI-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.81
Rot. Bonds6

About N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 60600410) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID60600410
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESC=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H22N2O2S/c1-2-12-23(16-18-7-5-6-17(13-18)15-22)26(24,25)21-11-10-19-8-3-4-9-20(19)14-21/h2,5-7,10-11,13-14H,1,3-4,8-9,12,16H2
InChIKeyYINBYNDLDAYWRI-UHFFFAOYSA-N
XLogP3.81
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-cyanophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-prop-2-enylurea
CID 86864386
N-[(3-cyanophenyl)methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55975322
2-chloro-N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5-(trifluoromethyl)benzenesulfonamide
CID 134045256
N-(2-aminoethyl)-N-benzyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 120584317
4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide
CID 78766614
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
2-[[3-(3-cyanophenyl)phenyl]methyl-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]amino]acetic acid
CID 53358261
N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide
CID 25466968
1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26570254
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 112788088
2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 47029568
N-carbamoyl-2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetamide
CID 47470318

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 60600410) is N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is YINBYNDLDAYWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-2-12-23(16-18-7-5-6-17(13-18)15-22)26(24,25)21-11-10-19-8-3-4-9-20(19)14-21/h2,5-7,10-11,13-14H,1,3-4,8-9,12,16H2.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 366.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 60600410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).