N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C24H21ClN2O2S — CID 18230505

IUPACN-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESN#CC(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl
InChIInChI=1S/C24H21ClN2O2S/c25-24-15-20(11-13-22(24)23(16-26)18-7-2-1-3-8-18)27-30(28,29)21-12-10-17-6-4-5-9-19(17)14-21/h1-3,7-8,10-15,23,27H,4-6,9H2
InChIKeyRDKDMQFXJACRJB-UHFFFAOYSA-N
MW436.96 g/mol
LogP5.68
Rot. Bonds5

About N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 18230505) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID18230505
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC NameN-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESN#CC(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl
InChIInChI=1S/C24H21ClN2O2S/c25-24-15-20(11-13-22(24)23(16-26)18-7-2-1-3-8-18)27-30(28,29)21-12-10-17-6-4-5-9-19(17)14-21/h1-3,7-8,10-15,23,27H,4-6,9H2
InChIKeyRDKDMQFXJACRJB-UHFFFAOYSA-N
XLogP5.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 7938319
2-bromo-N-[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]benzenesulfonamide
CID 26949865
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
N-[5-[3-chloro-4-[cyano(phenyl)methyl]anilino]pentyl]propane-2-sulfonamide
CID 70938957
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16944293
N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]-2,6-difluorobenzamide
CID 40649204
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966
N-(6-oxo-1H-pyridin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110724962

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 18230505) is N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is N#CC(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is RDKDMQFXJACRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c25-24-15-20(11-13-22(24)23(16-26)18-7-2-1-3-8-18)27-30(28,29)21-12-10-17-6-4-5-9-19(17)14-21/h1-3,7-8,10-15,23,27H,4-6,9H2.
What are the key properties of N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 436.96 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 18230505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).