4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide

C13H22N2O4S2 — CID 896369

IUPAC4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O4S2/c1-4-10-15(11-5-2)21(18,19)13-8-6-12(7-9-13)14-20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyAANQOFIRUXFHTC-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.87
Rot. Bonds8

About 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide

4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide (PubChem CID 896369) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide
PubChem CID896369
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Name4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O4S2/c1-4-10-15(11-5-2)21(18,19)13-8-6-12(7-9-13)14-20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyAANQOFIRUXFHTC-UHFFFAOYSA-N
XLogP1.87
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide (CID 896369) is 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide?
The InChIKey is AANQOFIRUXFHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-4-10-15(11-5-2)21(18,19)13-8-6-12(7-9-13)14-20(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide?
4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide has a molecular weight of 334.46 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 896369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).