2-chloro-4-(ethylsulfamoylamino)benzoic acid

C9H11ClN2O4S — CID 114805820

IUPAC2-chloro-4-(ethylsulfamoylamino)benzoic acid
SMILESCCNS(=O)(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C9H11ClN2O4S/c1-2-11-17(15,16)12-6-3-4-7(9(13)14)8(10)5-6/h3-5,11-12H,2H2,1H3,(H,13,14)
InChIKeyUVXIPZOSXOWTFF-UHFFFAOYSA-N
MW278.72 g/mol
LogP1.30
Rot. Bonds5

About 2-chloro-4-(ethylsulfamoylamino)benzoic acid

2-chloro-4-(ethylsulfamoylamino)benzoic acid (PubChem CID 114805820) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is 2-chloro-4-(ethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(ethylsulfamoylamino)benzoic acid
PubChem CID114805820
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC Name2-chloro-4-(ethylsulfamoylamino)benzoic acid
SMILESCCNS(=O)(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C9H11ClN2O4S/c1-2-11-17(15,16)12-6-3-4-7(9(13)14)8(10)5-6/h3-5,11-12H,2H2,1H3,(H,13,14)
InChIKeyUVXIPZOSXOWTFF-UHFFFAOYSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(ethylsulfamoylamino)phenol
CID 114809196
2-chloro-4-(dipropylsulfamoylamino)benzoic acid
CID 61398411
5-acetamido-2-(ethylsulfamoylamino)benzoic acid
CID 114805338
2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
CID 61398444
2-methoxy-4-(propylsulfamoylamino)benzoic acid
CID 107208921
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
4-(ethylsulfamoylamino)phenol
CID 114809076
2-chloro-4-[2-(methanesulfonamido)ethylcarbamoylamino]benzoic acid
CID 61399177
5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
2-chloro-4-(3-methylpentan-2-ylamino)benzoic acid
CID 62945460
2-chloro-4-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 61399201
2-chloro-4-[(3-methoxyazetidin-1-yl)sulfonylamino]benzoic acid
CID 166208292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylsulfamoylamino)benzoic acid?
The IUPAC name of 2-chloro-4-(ethylsulfamoylamino)benzoic acid (CID 114805820) is 2-chloro-4-(ethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 2-chloro-4-(ethylsulfamoylamino)benzoic acid?
The canonical SMILES for 2-chloro-4-(ethylsulfamoylamino)benzoic acid is CCNS(=O)(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(ethylsulfamoylamino)benzoic acid?
The InChIKey is UVXIPZOSXOWTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c1-2-11-17(15,16)12-6-3-4-7(9(13)14)8(10)5-6/h3-5,11-12H,2H2,1H3,(H,13,14).
What are the key properties of 2-chloro-4-(ethylsulfamoylamino)benzoic acid?
2-chloro-4-(ethylsulfamoylamino)benzoic acid has a molecular weight of 278.72 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114805820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).