5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

C19H19ClN2O4S3 — CID 22202764

IUPAC5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c(C)c1
InChIInChI=1S/C19H19ClN2O4S3/c1-12-10-13(2)19(14(3)11-12)22-28(23,24)16-6-4-15(5-7-16)21-29(25,26)18-9-8-17(20)27-18/h4-11,21-22H,1-3H3
InChIKeyPERMCQYUDYZPES-UHFFFAOYSA-N
MW471.03 g/mol
LogP4.93
Rot. Bonds6

About 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 22202764) has the molecular formula C19H19ClN2O4S3 and a molecular weight of 471.03 g/mol. Its IUPAC name is 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID22202764
Molecular FormulaC19H19ClN2O4S3
Molecular Weight471.03 g/mol
Exact Mass470.02
IUPAC Name5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c(C)c1
InChIInChI=1S/C19H19ClN2O4S3/c1-12-10-13(2)19(14(3)11-12)22-28(23,24)16-6-4-15(5-7-16)21-29(25,26)18-9-8-17(20)27-18/h4-11,21-22H,1-3H3
InChIKeyPERMCQYUDYZPES-UHFFFAOYSA-N
XLogP4.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.03
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
4-chloro-2,5-dimethyl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202783
5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 19683779
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3,5-dimethylbenzoic acid
CID 62778512
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
5-chloro-N-[4-(trifluoromethylsulfonyl)phenyl]thiophene-2-sulfonamide
CID 166200870
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 22202764) is 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c(C)c1.
What is the InChIKey of 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is PERMCQYUDYZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S3/c1-12-10-13(2)19(14(3)11-12)22-28(23,24)16-6-4-15(5-7-16)21-29(25,26)18-9-8-17(20)27-18/h4-11,21-22H,1-3H3.
What are the key properties of 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 471.03 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22202764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).