N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide

C27H21ClN2O3S — CID 2309239

IUPACN-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C27H21ClN2O3S/c28-23-12-3-4-13-24(23)29-34(32,33)22-11-7-10-21(18-22)27(31)30-25-14-5-1-8-19(25)16-17-20-9-2-6-15-26(20)30/h1-15,18,29H,16-17H2
InChIKeyQFKPBTWOPOQLOE-UHFFFAOYSA-N
MW489.00 g/mol
LogP6.22
Rot. Bonds4

About N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide

N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide (PubChem CID 2309239) has the molecular formula C27H21ClN2O3S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide
PubChem CID2309239
Molecular FormulaC27H21ClN2O3S
Molecular Weight489.00 g/mol
Exact Mass488.10
IUPAC NameN-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C27H21ClN2O3S/c28-23-12-3-4-13-24(23)29-34(32,33)22-11-7-10-21(18-22)27(31)30-25-14-5-1-8-19(25)16-17-20-9-2-6-15-26(20)30/h1-15,18,29H,16-17H2
InChIKeyQFKPBTWOPOQLOE-UHFFFAOYSA-N
XLogP6.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.00
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 4806668
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55821932
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5101960
N-(4-chlorophenyl)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26693557

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide (CID 2309239) is N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide?
The InChIKey is QFKPBTWOPOQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O3S/c28-23-12-3-4-13-24(23)29-34(32,33)22-11-7-10-21(18-22)27(31)30-25-14-5-1-8-19(25)16-17-20-9-2-6-15-26(20)30/h1-15,18,29H,16-17H2.
What are the key properties of N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide?
N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide has a molecular weight of 489.00 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2309239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).