2-chloro-4-(dipropylsulfamoylamino)benzoic acid

C13H19ClN2O4S — CID 61398411

IUPAC2-chloro-4-(dipropylsulfamoylamino)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S/c1-3-7-16(8-4-2)21(19,20)15-10-5-6-11(13(17)18)12(14)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyMTQBVWXSOJQOEY-UHFFFAOYSA-N
MW334.83 g/mol
LogP2.82
Rot. Bonds8

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

2-chloro-4-(dipropylsulfamoylamino)benzoic acid (PubChem CID 61398411) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-chloro-4-(dipropylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(dipropylsulfamoylamino)benzoic acid
PubChem CID61398411
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name2-chloro-4-(dipropylsulfamoylamino)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S/c1-3-7-16(8-4-2)21(19,20)15-10-5-6-11(13(17)18)12(14)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyMTQBVWXSOJQOEY-UHFFFAOYSA-N
XLogP2.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(ethylsulfamoylamino)benzoic acid
CID 114805820
2-chloro-4-[3-(diethylamino)propylamino]benzoic acid
CID 55151863
2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
CID 61398444
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
2-chloro-4-(prop-2-enylamino)benzoic acid
CID 62945583
2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 115296004
2-chloro-4-[4-[methyl(propan-2-yl)amino]butylamino]benzoic acid
CID 62945606
2-chloro-4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 62636703
2-chloro-4-(3-methylpentan-2-ylamino)benzoic acid
CID 62945460
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dipropylsulfamoylamino)benzoic acid?
The IUPAC name of 2-chloro-4-(dipropylsulfamoylamino)benzoic acid (CID 61398411) is 2-chloro-4-(dipropylsulfamoylamino)benzoic acid.
What is the SMILES notation for 2-chloro-4-(dipropylsulfamoylamino)benzoic acid?
The canonical SMILES for 2-chloro-4-(dipropylsulfamoylamino)benzoic acid is CCCN(CCC)S(=O)(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(dipropylsulfamoylamino)benzoic acid?
The InChIKey is MTQBVWXSOJQOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-3-7-16(8-4-2)21(19,20)15-10-5-6-11(13(17)18)12(14)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-4-(dipropylsulfamoylamino)benzoic acid?
2-chloro-4-(dipropylsulfamoylamino)benzoic acid has a molecular weight of 334.83 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dipropylsulfamoylamino)benzoic acid is sourced from PubChem (CID 61398411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).