N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride

C18H15ClN2O6S3 — CID 134878806

IUPACN-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride
SMILESO=S(=O)(Cl)Nc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15ClN2O6S3/c19-30(26,27)21-18-13-16(28(22,23)14-7-3-1-4-8-14)11-12-17(18)20-29(24,25)15-9-5-2-6-10-15/h1-13,20-21H
InChIKeyOYIMRPIWSZLSFG-UHFFFAOYSA-N
MW486.98 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride

N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride (PubChem CID 134878806) has the molecular formula C18H15ClN2O6S3 and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride
PubChem CID134878806
Molecular FormulaC18H15ClN2O6S3
Molecular Weight486.98 g/mol
Exact Mass485.98
IUPAC NameN-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride
SMILESO=S(=O)(Cl)Nc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15ClN2O6S3/c19-30(26,27)21-18-13-16(28(22,23)14-7-3-1-4-8-14)11-12-17(18)20-29(24,25)15-9-5-2-6-10-15/h1-13,20-21H
InChIKeyOYIMRPIWSZLSFG-UHFFFAOYSA-N
XLogP3.22
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286
3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
CID 1355590
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride?
The IUPAC name of N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride (CID 134878806) is N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride.
What is the SMILES notation for N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride?
The canonical SMILES for N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride is O=S(=O)(Cl)Nc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride?
The InChIKey is OYIMRPIWSZLSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O6S3/c19-30(26,27)21-18-13-16(28(22,23)14-7-3-1-4-8-14)11-12-17(18)20-29(24,25)15-9-5-2-6-10-15/h1-13,20-21H.
What are the key properties of N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride?
N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride has a molecular weight of 486.98 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)-5-(benzenesulfonyl)phenyl]sulfamoyl chloride is sourced from PubChem (CID 134878806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).