N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide

C10H14ClN3O5S2 — CID 71418116

IUPACN-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C10H14ClN3O5S2/c1-5(2)10(15)14-7-3-6(11)8(20(12,16)17)4-9(7)21(13,18)19/h3-5H,1-2H3,(H,14,15)(H2,12,16,17)(H2,13,18,19)
InChIKeyAWAOBGIMFFLBAK-UHFFFAOYSA-N
MW355.83 g/mol
LogP0.23
Rot. Bonds4

About N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide

N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide (PubChem CID 71418116) has the molecular formula C10H14ClN3O5S2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
PubChem CID71418116
Molecular FormulaC10H14ClN3O5S2
Molecular Weight355.83 g/mol
Exact Mass355.01
IUPAC NameN-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C10H14ClN3O5S2/c1-5(2)10(15)14-7-3-6(11)8(20(12,16)17)4-9(7)21(13,18)19/h3-5H,1-2H3,(H,14,15)(H2,12,16,17)(H2,13,18,19)
InChIKeyAWAOBGIMFFLBAK-UHFFFAOYSA-N
XLogP0.23
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
N-(5-chloro-2,4-disulfamoylphenyl)-2-cyanoacetamide
CID 168520102
N-(5-chloro-2,4-disulfamoylphenyl)-2-oxo-2-phenylacetamide
CID 101117427
3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride
CID 43109589
N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide
CID 50881245
N-(5-chloro-2,4-disulfamoylphenyl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate
CID 10792692
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
4-chloro-N-(2-ethylphenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913420
[4-[2-(5-chloro-2,4-disulfamoylanilino)-2-oxoethyl]phenyl]methyl nitrate
CID 11952431
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
N-tert-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 60699230
N-(5-chloro-2,4-disulfamoylphenyl)-3-phenylsulfanylpropanamide
CID 134098190

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide?
The IUPAC name of N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide (CID 71418116) is N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide?
The InChIKey is AWAOBGIMFFLBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O5S2/c1-5(2)10(15)14-7-3-6(11)8(20(12,16)17)4-9(7)21(13,18)19/h3-5H,1-2H3,(H,14,15)(H2,12,16,17)(H2,13,18,19).
What are the key properties of N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide?
N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide has a molecular weight of 355.83 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide is sourced from PubChem (CID 71418116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).