3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate

C15H13Cl2N2O4S- — CID 7504123

IUPAC3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate
SMILESCc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C
InChIInChI=1S/C15H14Cl2N2O4S/c1-7-3-9(15(20)21)4-13(8(7)2)24(22,23)19-10-5-11(16)14(18)12(17)6-10/h3-6,19H,18H2,1-2H3,(H,20,21)/p-1
InChIKeyMRPPMFDRHMEIPQ-UHFFFAOYSA-M
MW388.25 g/mol
LogP2.36
Rot. Bonds4

About 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate

3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate (PubChem CID 7504123) has the molecular formula C15H13Cl2N2O4S- and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate.

Molecular Properties

Compound Name3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate
PubChem CID7504123
Molecular FormulaC15H13Cl2N2O4S-
Molecular Weight388.25 g/mol
Exact Mass387.00
IUPAC Name3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate
SMILESCc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C
InChIInChI=1S/C15H14Cl2N2O4S/c1-7-3-9(15(20)21)4-13(8(7)2)24(22,23)19-10-5-11(16)14(18)12(17)6-10/h3-6,19H,18H2,1-2H3,(H,20,21)/p-1
InChIKeyMRPPMFDRHMEIPQ-UHFFFAOYSA-M
XLogP2.36
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoate
CID 9238951
N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 8538684
3-[[4-(diethylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoate
CID 9234909
N-[4-[(4-amino-3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 8538672
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
3,4-dimethyl-5-[(4-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 7516340
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate
CID 9236181
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516474
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 8822569
3-[[4-(dimethylsulfamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516597
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate?
The IUPAC name of 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate (CID 7504123) is 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate.
What is the SMILES notation for 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate?
The canonical SMILES for 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate is Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C.
What is the InChIKey of 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate?
The InChIKey is MRPPMFDRHMEIPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-7-3-9(15(20)21)4-13(8(7)2)24(22,23)19-10-5-11(16)14(18)12(17)6-10/h3-6,19H,18H2,1-2H3,(H,20,21)/p-1.
What are the key properties of 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate?
3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate has a molecular weight of 388.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3,5-dichlorophenyl)sulfamoyl]-4,5-dimethylbenzoate is sourced from PubChem (CID 7504123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).