4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide

C16H27ClN2O2S — CID 2314574

IUPAC4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCCCN(CCC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O2S/c1-5-11-19(12-6-2)13-16(3,4)18-22(20,21)15-9-7-14(17)8-10-15/h7-10,18H,5-6,11-13H2,1-4H3
InChIKeyIPCDJMHCUSAOOJ-UHFFFAOYSA-N
MW346.92 g/mol
LogP3.52
Rot. Bonds9

About 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide

4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 2314574) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID2314574
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCCCN(CCC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O2S/c1-5-11-19(12-6-2)13-16(3,4)18-22(20,21)15-9-7-14(17)8-10-15/h7-10,18H,5-6,11-13H2,1-4H3
InChIKeyIPCDJMHCUSAOOJ-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide (CID 2314574) is 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide is CCCN(CCC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is IPCDJMHCUSAOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O2S/c1-5-11-19(12-6-2)13-16(3,4)18-22(20,21)15-9-7-14(17)8-10-15/h7-10,18H,5-6,11-13H2,1-4H3.
What are the key properties of 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide?
4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 346.92 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2314574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).