N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide

C19H17ClN2O4S3 — CID 2967801

IUPACN-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O4S3/c1-27-15-8-12-17(13-9-15)28(23,24)21-14-6-10-16(11-7-14)29(25,26)22-19-5-3-2-4-18(19)20/h2-13,21-22H,1H3
InChIKeyLACOSAHAQPMAMT-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.66
Rot. Bonds7

About N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide

N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 2967801) has the molecular formula C19H17ClN2O4S3 and a molecular weight of 469.01 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID2967801
Molecular FormulaC19H17ClN2O4S3
Molecular Weight469.01 g/mol
Exact Mass468.00
IUPAC NameN-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O4S3/c1-27-15-8-12-17(13-9-15)28(23,24)21-14-6-10-16(11-7-14)29(25,26)22-19-5-3-2-4-18(19)20/h2-13,21-22H,1H3
InChIKeyLACOSAHAQPMAMT-UHFFFAOYSA-N
XLogP4.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
N-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2978852
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 126186170
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
CID 23100906

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide (CID 2967801) is N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is LACOSAHAQPMAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S3/c1-27-15-8-12-17(13-9-15)28(23,24)21-14-6-10-16(11-7-14)29(25,26)22-19-5-3-2-4-18(19)20/h2-13,21-22H,1H3.
What are the key properties of N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide?
N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 469.01 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 2967801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).