4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide

C21H19ClN2O2S — CID 10287501

IUPAC4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide
SMILESCN1Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2C1
InChIInChI=1S/C21H19ClN2O2S/c1-24-13-17-4-9-20(12-18(17)14-24)23-27(25,26)21-10-5-16(6-11-21)15-2-7-19(22)8-3-15/h2-12,23H,13-14H2,1H3
InChIKeyRFLOMQOBYWBDJC-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.75
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide

4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide (PubChem CID 10287501) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide
PubChem CID10287501
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide
SMILESCN1Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2C1
InChIInChI=1S/C21H19ClN2O2S/c1-24-13-17-4-9-20(12-18(17)14-24)23-27(25,26)21-10-5-16(6-11-21)15-2-7-19(22)8-3-15/h2-12,23H,13-14H2,1H3
InChIKeyRFLOMQOBYWBDJC-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-chlorobenzenesulfonamide
CID 12811353
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
4-chloro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 20962746
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
2,4,5-trichloro-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202651
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
trans-(1R,2S)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropane-1-carboxylic acid
CID 67524469
N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-5-fluoro-2-methylbenzenesulfonamide
CID 16926307

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide (CID 10287501) is 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide is CN1Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2C1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide?
The InChIKey is RFLOMQOBYWBDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-24-13-17-4-9-20(12-18(17)14-24)23-27(25,26)21-10-5-16(6-11-21)15-2-7-19(22)8-3-15/h2-12,23H,13-14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide?
4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide has a molecular weight of 398.92 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10287501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).