methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane

C15H27N3O2S — CID 70410715

IUPACmethane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane
SMILESC.NS(=O)(=O)Nc1cccc(CCN2CCCCCC2)c1
InChIInChI=1S/C14H23N3O2S.CH4/c15-20(18,19)16-14-7-5-6-13(12-14)8-11-17-9-3-1-2-4-10-17;/h5-7,12,16H,1-4,8-11H2,(H2,15,18,19);1H4
InChIKeyJZKSLZXJVTUSEW-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.36
Rot. Bonds5

About methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane

methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane (PubChem CID 70410715) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane.

Molecular Properties

Compound Namemethane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane
PubChem CID70410715
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Namemethane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane
SMILESC.NS(=O)(=O)Nc1cccc(CCN2CCCCCC2)c1
InChIInChI=1S/C14H23N3O2S.CH4/c15-20(18,19)16-14-7-5-6-13(12-14)8-11-17-9-3-1-2-4-10-17;/h5-7,12,16H,1-4,8-11H2,(H2,15,18,19);1H4
InChIKeyJZKSLZXJVTUSEW-UHFFFAOYSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-hydroxy-4-[3-(sulfamoylamino)phenyl]butyl]azepane;methane
CID 70411803
1-[4-hydroxy-4-[3-(sulfamoylamino)phenyl]butyl]azepane
CID 70411804
4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 174749205
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208
N-[3-[2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]phenyl]naphthalene-1-sulfonamide
CID 44526730
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1-sulfonamide
CID 60959543
N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine
CID 174695439
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 46410718
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328

Frequently Asked Questions

What is the IUPAC name of methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane?
The IUPAC name of methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane (CID 70410715) is methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane.
What is the SMILES notation for methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane?
The canonical SMILES for methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane is C.NS(=O)(=O)Nc1cccc(CCN2CCCCCC2)c1.
What is the InChIKey of methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane?
The InChIKey is JZKSLZXJVTUSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.CH4/c15-20(18,19)16-14-7-5-6-13(12-14)8-11-17-9-3-1-2-4-10-17;/h5-7,12,16H,1-4,8-11H2,(H2,15,18,19);1H4.
What are the key properties of methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane?
methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane has a molecular weight of 313.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[2-[3-(sulfamoylamino)phenyl]ethyl]azepane is sourced from PubChem (CID 70410715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).