3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid

C15H13Cl2NO4S — CID 78843133

IUPAC3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C15H13Cl2NO4S/c1-8-3-4-12(9(2)5-8)18-23(21,22)13-7-10(15(19)20)6-11(16)14(13)17/h3-7,18H,1-2H3,(H,19,20)
InChIKeyNDHMVFMWPGYUQD-UHFFFAOYSA-N
MW374.25 g/mol
LogP4.11
Rot. Bonds4

About 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid

3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid (PubChem CID 78843133) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
PubChem CID78843133
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C15H13Cl2NO4S/c1-8-3-4-12(9(2)5-8)18-23(21,22)13-7-10(15(19)20)6-11(16)14(13)17/h3-7,18H,1-2H3,(H,19,20)
InChIKeyNDHMVFMWPGYUQD-UHFFFAOYSA-N
XLogP4.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 2380504
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 5236440
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
methyl 3-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 2304391
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid (CID 78843133) is 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid is Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(Cl)c2Cl)c(C)c1.
What is the InChIKey of 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid?
The InChIKey is NDHMVFMWPGYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-8-3-4-12(9(2)5-8)18-23(21,22)13-7-10(15(19)20)6-11(16)14(13)17/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid?
3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid has a molecular weight of 374.25 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 78843133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).