2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid

C14H10ClF2NO4S — CID 71870168

IUPAC2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)cc1Cl
InChIInChI=1S/C14H10ClF2NO4S/c15-12-7-10(4-5-11(12)14(19)20)23(21,22)18-9-3-1-2-8(6-9)13(16)17/h1-7,13,18H,(H,19,20)
InChIKeyMMQOKDOPTPKFCR-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid

2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid (PubChem CID 71870168) has the molecular formula C14H10ClF2NO4S and a molecular weight of 361.75 g/mol. Its IUPAC name is 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid
PubChem CID71870168
Molecular FormulaC14H10ClF2NO4S
Molecular Weight361.75 g/mol
Exact Mass361.00
IUPAC Name2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)cc1Cl
InChIInChI=1S/C14H10ClF2NO4S/c15-12-7-10(4-5-11(12)14(19)20)23(21,22)18-9-3-1-2-8(6-9)13(16)17/h1-7,13,18H,(H,19,20)
InChIKeyMMQOKDOPTPKFCR-UHFFFAOYSA-N
XLogP3.78
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 103710305
2-chloro-4-(pyridin-4-ylsulfamoyl)benzoic acid
CID 107089863
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid
CID 71882393
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132674716
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 107090141
2-chloro-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 107090099
2-chloro-4-(2-methylsulfinylpropylsulfamoyl)benzoic acid
CID 104656097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid (CID 71870168) is 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is MMQOKDOPTPKFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO4S/c15-12-7-10(4-5-11(12)14(19)20)23(21,22)18-9-3-1-2-8(6-9)13(16)17/h1-7,13,18H,(H,19,20).
What are the key properties of 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid?
2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 361.75 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-(difluoromethyl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 71870168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).