N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide

C13H13ClN2O4S2 — CID 2467720

IUPACN-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C13H13ClN2O4S2/c1-21(17,18)15-10-6-8-11(9-7-10)22(19,20)16-13-5-3-2-4-12(13)14/h2-9,15-16H,1H3
InChIKeyQYZCXAAJWOZQNZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.51
Rot. Bonds5

About N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide

N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 2467720) has the molecular formula C13H13ClN2O4S2 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
PubChem CID2467720
Molecular FormulaC13H13ClN2O4S2
Molecular Weight360.84 g/mol
Exact Mass360.00
IUPAC NameN-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C13H13ClN2O4S2/c1-21(17,18)15-10-6-8-11(9-7-10)22(19,20)16-13-5-3-2-4-12(13)14/h2-9,15-16H,1H3
InChIKeyQYZCXAAJWOZQNZ-UHFFFAOYSA-N
XLogP2.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2967801
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 2226252
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 43069384
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7376470
N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
CID 3508637
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
CID 135223291
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide (CID 2467720) is N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is QYZCXAAJWOZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S2/c1-21(17,18)15-10-6-8-11(9-7-10)22(19,20)16-13-5-3-2-4-12(13)14/h2-9,15-16H,1H3.
What are the key properties of N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide?
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 360.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 2467720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).