4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid

C19H24N2O4S — CID 50766989

IUPAC4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N(CC)CC)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-14-7-10-16(11-8-14)26(24,25)20-17-13-15(19(22)23)9-12-18(17)21(5-2)6-3/h7-13,20H,4-6H2,1-3H3,(H,22,23)
InChIKeyLSVDTBBKYVWXJV-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.59
Rot. Bonds8

About 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid

4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid (PubChem CID 50766989) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid
PubChem CID50766989
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N(CC)CC)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-14-7-10-16(11-8-14)26(24,25)20-17-13-15(19(22)23)9-12-18(17)21(5-2)6-3/h7-13,20H,4-6H2,1-3H3,(H,22,23)
InChIKeyLSVDTBBKYVWXJV-UHFFFAOYSA-N
XLogP3.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 50767053
4-[butyl(ethyl)amino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50767103
3-[(4-ethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid
CID 46291772
3-[(4-acetylphenyl)sulfonylamino]-4-[benzyl(butyl)amino]benzoic acid
CID 46292415
4-(diethylamino)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146056054
4-[benzyl(ethyl)amino]-3-[(3-chloro-4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50766869
3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
CID 68688402
4-[benzyl(methyl)amino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50766845
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
4-[2-(dimethylamino)ethyl-ethylamino]-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46292396
4-[bis(2-methylpropyl)amino]-3-[(3-methylphenyl)sulfonylamino]benzoic acid
CID 50767012
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-[2-(dimethylamino)ethyl-ethylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055986

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid (CID 50766989) is 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid is CCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2N(CC)CC)cc1.
What is the InChIKey of 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid?
The InChIKey is LSVDTBBKYVWXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-14-7-10-16(11-8-14)26(24,25)20-17-13-15(19(22)23)9-12-18(17)21(5-2)6-3/h7-13,20H,4-6H2,1-3H3,(H,22,23).
What are the key properties of 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid?
4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid has a molecular weight of 376.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3-[(4-ethylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 50766989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).