N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide

C27H23ClN2O2S — CID 69343924

IUPACN-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide
SMILESCC(c1ccc(Cl)cc1)C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C#N)c1
InChIInChI=1S/C27H23ClN2O2S/c1-19(21-9-12-25(28)13-10-21)27(24-8-4-5-20(15-24)17-29)18-30-33(31,32)26-14-11-22-6-2-3-7-23(22)16-26/h2-16,19,27,30H,18H2,1H3
InChIKeyLLZSPZSXHALJTO-UHFFFAOYSA-N
MW475.01 g/mol
LogP6.23
Rot. Bonds7

About N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide

N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide (PubChem CID 69343924) has the molecular formula C27H23ClN2O2S and a molecular weight of 475.01 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide
PubChem CID69343924
Molecular FormulaC27H23ClN2O2S
Molecular Weight475.01 g/mol
Exact Mass474.12
IUPAC NameN-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide
SMILESCC(c1ccc(Cl)cc1)C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C#N)c1
InChIInChI=1S/C27H23ClN2O2S/c1-19(21-9-12-25(28)13-10-21)27(24-8-4-5-20(15-24)17-29)18-30-33(31,32)26-14-11-22-6-2-3-7-23(22)16-26/h2-16,19,27,30H,18H2,1H3
InChIKeyLLZSPZSXHALJTO-UHFFFAOYSA-N
XLogP6.23
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.01
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
CID 69331280
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-cyanobenzenesulfonamide
CID 119976036
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 69330564
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide
CID 58875153
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
CID 43606402
3-[1-(4-chlorophenyl)-3-(methylamino)butan-2-yl]benzonitrile
CID 142807526
3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664547
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-phenylethanesulfonamide
CID 69331186
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide (CID 69343924) is N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide is CC(c1ccc(Cl)cc1)C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C#N)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide?
The InChIKey is LLZSPZSXHALJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O2S/c1-19(21-9-12-25(28)13-10-21)27(24-8-4-5-20(15-24)17-29)18-30-33(31,32)26-14-11-22-6-2-3-7-23(22)16-26/h2-16,19,27,30H,18H2,1H3.
What are the key properties of N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide?
N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide has a molecular weight of 475.01 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 69343924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).