4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide

C15H25N3O5S2 — CID 131901749

IUPAC4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide
SMILESCOCC1(CNS(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CCC1
InChIInChI=1S/C15H25N3O5S2/c1-18(2)25(21,22)17-13-5-7-14(8-6-13)24(19,20)16-11-15(12-23-3)9-4-10-15/h5-8,16-17H,4,9-12H2,1-3H3
InChIKeyBYLODHYXCNACTO-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.00
Rot. Bonds9

About 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide

4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide (PubChem CID 131901749) has the molecular formula C15H25N3O5S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide
PubChem CID131901749
Molecular FormulaC15H25N3O5S2
Molecular Weight391.52 g/mol
Exact Mass391.12
IUPAC Name4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide
SMILESCOCC1(CNS(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CCC1
InChIInChI=1S/C15H25N3O5S2/c1-18(2)25(21,22)17-13-5-7-14(8-6-13)24(19,20)16-11-15(12-23-3)9-4-10-15/h5-8,16-17H,4,9-12H2,1-3H3
InChIKeyBYLODHYXCNACTO-UHFFFAOYSA-N
XLogP1.00
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide (CID 131901749) is 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide is COCC1(CNS(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CCC1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide?
The InChIKey is BYLODHYXCNACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S2/c1-18(2)25(21,22)17-13-5-7-14(8-6-13)24(19,20)16-11-15(12-23-3)9-4-10-15/h5-8,16-17H,4,9-12H2,1-3H3.
What are the key properties of 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide?
4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide has a molecular weight of 391.52 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzenesulfonamide is sourced from PubChem (CID 131901749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).