N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide

C14H17ClN2O5S2 — CID 146210987

IUPACN-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC1C2CN(S(=O)(=O)c3cc(Cl)ccc3OC)CC21
InChIInChI=1S/C14H17ClN2O5S2/c1-3-23(18,19)16-14-10-7-17(8-11(10)14)24(20,21)13-6-9(15)4-5-12(13)22-2/h3-6,10-11,14,16H,1,7-8H2,2H3
InChIKeyXTXONAIECQHGSH-UHFFFAOYSA-N
MW392.89 g/mol
LogP1.03
Rot. Bonds6

About N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide

N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide (PubChem CID 146210987) has the molecular formula C14H17ClN2O5S2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide
PubChem CID146210987
Molecular FormulaC14H17ClN2O5S2
Molecular Weight392.89 g/mol
Exact Mass392.03
IUPAC NameN-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC1C2CN(S(=O)(=O)c3cc(Cl)ccc3OC)CC21
InChIInChI=1S/C14H17ClN2O5S2/c1-3-23(18,19)16-14-10-7-17(8-11(10)14)24(20,21)13-6-9(15)4-5-12(13)22-2/h3-6,10-11,14,16H,1,7-8H2,2H3
InChIKeyXTXONAIECQHGSH-UHFFFAOYSA-N
XLogP1.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide with MolForge

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Related Compounds

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1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide (CID 146210987) is N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide is C=CS(=O)(=O)NC1C2CN(S(=O)(=O)c3cc(Cl)ccc3OC)CC21.
What is the InChIKey of N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide?
The InChIKey is XTXONAIECQHGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O5S2/c1-3-23(18,19)16-14-10-7-17(8-11(10)14)24(20,21)13-6-9(15)4-5-12(13)22-2/h3-6,10-11,14,16H,1,7-8H2,2H3.
What are the key properties of N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide?
N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide has a molecular weight of 392.89 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]ethenesulfonamide is sourced from PubChem (CID 146210987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).