N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C16H24N2O5S2 — CID 21005132

IUPACN-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(N2C(=O)C(C)CS2(=O)=O)cc1C
InChIInChI=1S/C16H24N2O5S2/c1-5-6-9-17(4)25(22,23)15-8-7-14(10-12(15)2)18-16(19)13(3)11-24(18,20)21/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyDDHAZUCCALLWNQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.73
Rot. Bonds6

About N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21005132) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21005132
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC NameN-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(N2C(=O)C(C)CS2(=O)=O)cc1C
InChIInChI=1S/C16H24N2O5S2/c1-5-6-9-17(4)25(22,23)15-8-7-14(10-12(15)2)18-16(19)13(3)11-24(18,20)21/h7-8,10,13H,5-6,9,11H2,1-4H3
InChIKeyDDHAZUCCALLWNQ-UHFFFAOYSA-N
XLogP1.73
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21005132) is N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(N2C(=O)C(C)CS2(=O)=O)cc1C.
What is the InChIKey of N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is DDHAZUCCALLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-5-6-9-17(4)25(22,23)15-8-7-14(10-12(15)2)18-16(19)13(3)11-24(18,20)21/h7-8,10,13H,5-6,9,11H2,1-4H3.
What are the key properties of N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21005132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).