2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide

C17H31N3O4S2 — CID 55904290

IUPAC2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H31N3O4S2/c1-5-7-13-20(14-8-6-2)26(23,24)18-15-16-11-9-10-12-17(16)25(21,22)19(3)4/h9-12,18H,5-8,13-15H2,1-4H3
InChIKeyUTCWAEXMUIMGKB-UHFFFAOYSA-N
MW405.59 g/mol
LogP2.17
Rot. Bonds12

About 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide

2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 55904290) has the molecular formula C17H31N3O4S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID55904290
Molecular FormulaC17H31N3O4S2
Molecular Weight405.59 g/mol
Exact Mass405.18
IUPAC Name2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H31N3O4S2/c1-5-7-13-20(14-8-6-2)26(23,24)18-15-16-11-9-10-12-17(16)25(21,22)19(3)4/h9-12,18H,5-8,13-15H2,1-4H3
InChIKeyUTCWAEXMUIMGKB-UHFFFAOYSA-N
XLogP2.17
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide (CID 55904290) is 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide is CCCCN(CCCC)S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UTCWAEXMUIMGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S2/c1-5-7-13-20(14-8-6-2)26(23,24)18-15-16-11-9-10-12-17(16)25(21,22)19(3)4/h9-12,18H,5-8,13-15H2,1-4H3.
What are the key properties of 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide?
2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 405.59 g/mol, XLogP of 2.17, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dibutylsulfamoylamino)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 55904290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).