3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide

C9H12Cl2N4O5S2 — CID 10834283

IUPAC3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide
SMILESNCCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N4O5S2/c10-7-4(21(13,17)18)3-5(22(14,19)20)9(8(7)11)15-6(16)1-2-12/h3H,1-2,12H2,(H,15,16)(H2,13,17,18)(H2,14,19,20)
InChIKeyVBVRQMRYTQKCHJ-UHFFFAOYSA-N
MW391.26 g/mol
LogP-0.42
Rot. Bonds5

About 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide

3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide (PubChem CID 10834283) has the molecular formula C9H12Cl2N4O5S2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide
PubChem CID10834283
Molecular FormulaC9H12Cl2N4O5S2
Molecular Weight391.26 g/mol
Exact Mass389.96
IUPAC Name3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide
SMILESNCCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N4O5S2/c10-7-4(21(13,17)18)3-5(22(14,19)20)9(8(7)11)15-6(16)1-2-12/h3H,1-2,12H2,(H,15,16)(H2,13,17,18)(H2,14,19,20)
InChIKeyVBVRQMRYTQKCHJ-UHFFFAOYSA-N
XLogP-0.42
TPSA175.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)acetamide
CID 10833411
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
3-amino-N-(4-ethyl-3-sulfamoylphenyl)propanamide;hydrochloride
CID 119307317
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
CID 43246587
(2S,3R)-3-[(2,3-dichloro-4,6-disulfamoylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 101113201
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
4-amino-5,6-dichlorobenzene-1,3-disulfonamide
CID 2781602
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246574
N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide
CID 134098190
5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
CID 114209129
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide?
The IUPAC name of 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide (CID 10834283) is 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide?
The canonical SMILES for 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide is NCCC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl.
What is the InChIKey of 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide?
The InChIKey is VBVRQMRYTQKCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O5S2/c10-7-4(21(13,17)18)3-5(22(14,19)20)9(8(7)11)15-6(16)1-2-12/h3H,1-2,12H2,(H,15,16)(H2,13,17,18)(H2,14,19,20).
What are the key properties of 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide?
3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide has a molecular weight of 391.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide is sourced from PubChem (CID 10834283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).