N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide

C14H20N2O4S2 — CID 166239263

IUPACN-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCCC3CC32)cc1
InChIInChI=1S/C14H20N2O4S2/c1-21(17,18)15-11-5-7-12(8-6-11)22(19,20)16-14-4-2-3-10-9-13(10)14/h5-8,10,13-16H,2-4,9H2,1H3
InChIKeyUZUAKJQPVCHJCI-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.52
Rot. Bonds5

About N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide

N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 166239263) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide
PubChem CID166239263
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC NameN-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCCC3CC32)cc1
InChIInChI=1S/C14H20N2O4S2/c1-21(17,18)15-11-5-7-12(8-6-11)22(19,20)16-14-4-2-3-10-9-13(10)14/h5-8,10,13-16H,2-4,9H2,1H3
InChIKeyUZUAKJQPVCHJCI-UHFFFAOYSA-N
XLogP1.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide (CID 166239263) is N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCCC3CC32)cc1.
What is the InChIKey of N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is UZUAKJQPVCHJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-21(17,18)15-11-5-7-12(8-6-11)22(19,20)16-14-4-2-3-10-9-13(10)14/h5-8,10,13-16H,2-4,9H2,1H3.
What are the key properties of N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide?
N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 166239263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).