sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide

C21H36N3NaO3S — CID 10694102

IUPACsodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide
SMILESCCCCN(CCCC)S(=O)(=O)[N-]C(=O)Nc1c(C(C)C)cccc1C(C)C.[Na+]
InChIInChI=1S/C21H37N3O3S.Na/c1-7-9-14-24(15-10-8-2)28(26,27)23-21(25)22-20-18(16(3)4)12-11-13-19(20)17(5)6;/h11-13,16-17H,7-10,14-15H2,1-6H3,(H2,22,23,25);/q;+1/p-1
InChIKeyZORKHZPFYKZVNI-UHFFFAOYSA-M
MW433.59 g/mol
LogP2.99
Rot. Bonds11

About sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide

sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide (PubChem CID 10694102) has the molecular formula C21H36N3NaO3S and a molecular weight of 433.59 g/mol. Its IUPAC name is sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide.

Molecular Properties

Compound Namesodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide
PubChem CID10694102
Molecular FormulaC21H36N3NaO3S
Molecular Weight433.59 g/mol
Exact Mass433.24
IUPAC Namesodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide
SMILESCCCCN(CCCC)S(=O)(=O)[N-]C(=O)Nc1c(C(C)C)cccc1C(C)C.[Na+]
InChIInChI=1S/C21H37N3O3S.Na/c1-7-9-14-24(15-10-8-2)28(26,27)23-21(25)22-20-18(16(3)4)12-11-13-19(20)17(5)6;/h11-13,16-17H,7-10,14-15H2,1-6H3,(H2,22,23,25);/q;+1/p-1
InChIKeyZORKHZPFYKZVNI-UHFFFAOYSA-M
XLogP2.99
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
CID 10578886
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-decan-2-ylsulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10432503
1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea
CID 10667693
1-[(didodecylamino)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;N-dodecyldodecan-1-amine
CID 88503854
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-dodecan-2-ylurea
CID 141032891
ethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]hexanoate
CID 3779877
2-[4-[4-[[[di(propan-2-yl)amino]-[2,6-di(propan-2-yl)anilino]methylidene]amino]-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]-1,1-di(propan-2-yl)guanidine;hexane
CID 139175521
(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
CID 71684537
N-[2,6-di(propan-2-yl)phenyl]-4-tetradecylsulfanylbutanamide
CID 19002325
N-[2,6-di(propan-2-yl)phenyl]-2-octylsulfanylacetamide
CID 15817217

Frequently Asked Questions

What is the IUPAC name of sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide?
The IUPAC name of sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide (CID 10694102) is sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide.
What is the SMILES notation for sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide?
The canonical SMILES for sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide is CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Nc1c(C(C)C)cccc1C(C)C.[Na+].
What is the InChIKey of sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide?
The InChIKey is ZORKHZPFYKZVNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H37N3O3S.Na/c1-7-9-14-24(15-10-8-2)28(26,27)23-21(25)22-20-18(16(3)4)12-11-13-19(20)17(5)6;/h11-13,16-17H,7-10,14-15H2,1-6H3,(H2,22,23,25);/q;+1/p-1.
What are the key properties of sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide?
sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide has a molecular weight of 433.59 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide is sourced from PubChem (CID 10694102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).