N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide

C22H25N3O3S — CID 2928176

IUPACN-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
SMILESCOc1nnc(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)c2ccccc12
InChIInChI=1S/C22H25N3O3S/c1-15-12-13-16(14-20(15)29(26,27)25-17-8-4-3-5-9-17)21-18-10-6-7-11-19(18)22(28-2)24-23-21/h6-7,10-14,17,25H,3-5,8-9H2,1-2H3
InChIKeyIDUSZPCTKMOUIR-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.22
Rot. Bonds5

About N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide

N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide (PubChem CID 2928176) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
PubChem CID2928176
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
SMILESCOc1nnc(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)c2ccccc12
InChIInChI=1S/C22H25N3O3S/c1-15-12-13-16(14-20(15)29(26,27)25-17-8-4-3-5-9-17)21-18-10-6-7-11-19(18)22(28-2)24-23-21/h6-7,10-14,17,25H,3-5,8-9H2,1-2H3
InChIKeyIDUSZPCTKMOUIR-UHFFFAOYSA-N
XLogP4.22
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphthalazin-1-yl)-N,2-dimethylbenzenesulfonamide
CID 3149668
N-ethyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
CID 3149669
5-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-N-cyclohexyl-2-methylbenzenesulfonamide
CID 5292454
N-cyclopentyl-5-[2-(methanesulfonamido)phenyl]-2-methoxybenzenesulfonamide
CID 122191039
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate
CID 150203480
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365758
N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098172
N,N,2-trimethyl-5-(4-phenylmethoxyphthalazin-1-yl)benzenesulfonamide
CID 2896385
N-cycloheptyl-5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylbenzenesulfonamide
CID 121465472
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide (CID 2928176) is N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide is COc1nnc(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)c2ccccc12.
What is the InChIKey of N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
The InChIKey is IDUSZPCTKMOUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-15-12-13-16(14-20(15)29(26,27)25-17-8-4-3-5-9-17)21-18-10-6-7-11-19(18)22(28-2)24-23-21/h6-7,10-14,17,25H,3-5,8-9H2,1-2H3.
What are the key properties of N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide?
N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide has a molecular weight of 411.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 2928176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).