4-(dipropylsulfamoyl)benzenesulfonyl chloride

C12H18ClNO4S2 — CID 154093021

IUPAC4-(dipropylsulfamoyl)benzenesulfonyl chloride
SMILESCCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C12H18ClNO4S2/c1-3-9-14(10-4-2)20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyKMYVZVGQHZTTKC-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.42
Rot. Bonds7

About 4-(dipropylsulfamoyl)benzenesulfonyl chloride

4-(dipropylsulfamoyl)benzenesulfonyl chloride (PubChem CID 154093021) has the molecular formula C12H18ClNO4S2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)benzenesulfonyl chloride
PubChem CID154093021
Molecular FormulaC12H18ClNO4S2
Molecular Weight339.87 g/mol
Exact Mass339.04
IUPAC Name4-(dipropylsulfamoyl)benzenesulfonyl chloride
SMILESCCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C12H18ClNO4S2/c1-3-9-14(10-4-2)20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyKMYVZVGQHZTTKC-UHFFFAOYSA-N
XLogP2.42
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropylbenzenesulfonamide
CID 4053954
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
4-formyl-N,N-dipropylbenzenesulfonamide
CID 138962999
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
sodium 2-[(4-methylphenyl)sulfonyl-propylamino]ethyl sulfate
CID 59872860
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(dipropylsulfamoyl)benzenesulfonyl chloride (CID 154093021) is 4-(dipropylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(dipropylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(dipropylsulfamoyl)benzenesulfonyl chloride is CCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is KMYVZVGQHZTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4S2/c1-3-9-14(10-4-2)20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(dipropylsulfamoyl)benzenesulfonyl chloride?
4-(dipropylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 339.87 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 154093021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).