4-(methanesulfonamido)-N-propylbenzenesulfonamide

C10H16N2O4S2 — CID 6458395

IUPAC4-(methanesulfonamido)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H16N2O4S2/c1-3-8-11-18(15,16)10-6-4-9(5-7-10)12-17(2,13)14/h4-7,11-12H,3,8H2,1-2H3
InChIKeyPLGPAHMSHJKPAS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.75
Rot. Bonds6

About 4-(methanesulfonamido)-N-propylbenzenesulfonamide

4-(methanesulfonamido)-N-propylbenzenesulfonamide (PubChem CID 6458395) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-propylbenzenesulfonamide
PubChem CID6458395
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name4-(methanesulfonamido)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H16N2O4S2/c1-3-8-11-18(15,16)10-6-4-9(5-7-10)12-17(2,13)14/h4-7,11-12H,3,8H2,1-2H3
InChIKeyPLGPAHMSHJKPAS-UHFFFAOYSA-N
XLogP0.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide
CID 15599388
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N-[4-[4-(methanesulfonamido)phenyl]sulfanylbutyl]-4-methylbenzenesulfonamide
CID 67599725
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide
CID 17319807
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N-propylbenzenesulfonamide (CID 6458395) is 4-(methanesulfonamido)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-propylbenzenesulfonamide?
The InChIKey is PLGPAHMSHJKPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-3-8-11-18(15,16)10-6-4-9(5-7-10)12-17(2,13)14/h4-7,11-12H,3,8H2,1-2H3.
What are the key properties of 4-(methanesulfonamido)-N-propylbenzenesulfonamide?
4-(methanesulfonamido)-N-propylbenzenesulfonamide has a molecular weight of 292.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-propylbenzenesulfonamide is sourced from PubChem (CID 6458395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).