2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide

C14H15ClN2O5S2 — CID 24629158

IUPAC2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C14H15ClN2O5S2/c1-9-3-6-13(11(15)7-9)24(20,21)17-10-4-5-12(22-2)14(8-10)23(16,18)19/h3-8,17H,1-2H3,(H2,16,18,19)
InChIKeyTTXGKLSFETTWOB-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide

2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide (PubChem CID 24629158) has the molecular formula C14H15ClN2O5S2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
PubChem CID24629158
Molecular FormulaC14H15ClN2O5S2
Molecular Weight390.87 g/mol
Exact Mass390.01
IUPAC Name2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1S(N)(=O)=O
InChIInChI=1S/C14H15ClN2O5S2/c1-9-3-6-13(11(15)7-9)24(20,21)17-10-4-5-12(22-2)14(8-10)23(16,18)19/h3-8,17H,1-2H3,(H2,16,18,19)
InChIKeyTTXGKLSFETTWOB-UHFFFAOYSA-N
XLogP2.11
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide (CID 24629158) is 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1S(N)(=O)=O.
What is the InChIKey of 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is TTXGKLSFETTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5S2/c1-9-3-6-13(11(15)7-9)24(20,21)17-10-4-5-12(22-2)14(8-10)23(16,18)19/h3-8,17H,1-2H3,(H2,16,18,19).
What are the key properties of 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide?
2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 390.87 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 24629158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).