2-(cyclobuten-1-ylamino)benzenesulfonamide

C10H12N2O2S — CID 151014054

IUPAC2-(cyclobuten-1-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NC1=CCC1
InChIInChI=1S/C10H12N2O2S/c11-15(13,14)10-7-2-1-6-9(10)12-8-4-3-5-8/h1-2,4,6-7,12H,3,5H2,(H2,11,13,14)
InChIKeyLWRSBONHUWFGOW-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.42
Rot. Bonds3

About 2-(cyclobuten-1-ylamino)benzenesulfonamide

2-(cyclobuten-1-ylamino)benzenesulfonamide (PubChem CID 151014054) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-(cyclobuten-1-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(cyclobuten-1-ylamino)benzenesulfonamide
PubChem CID151014054
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name2-(cyclobuten-1-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NC1=CCC1
InChIInChI=1S/C10H12N2O2S/c11-15(13,14)10-7-2-1-6-9(10)12-8-4-3-5-8/h1-2,4,6-7,12H,3,5H2,(H2,11,13,14)
InChIKeyLWRSBONHUWFGOW-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobuten-1-ylamino)benzenesulfonamide?
The IUPAC name of 2-(cyclobuten-1-ylamino)benzenesulfonamide (CID 151014054) is 2-(cyclobuten-1-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-(cyclobuten-1-ylamino)benzenesulfonamide?
The canonical SMILES for 2-(cyclobuten-1-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1NC1=CCC1.
What is the InChIKey of 2-(cyclobuten-1-ylamino)benzenesulfonamide?
The InChIKey is LWRSBONHUWFGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-15(13,14)10-7-2-1-6-9(10)12-8-4-3-5-8/h1-2,4,6-7,12H,3,5H2,(H2,11,13,14).
What are the key properties of 2-(cyclobuten-1-ylamino)benzenesulfonamide?
2-(cyclobuten-1-ylamino)benzenesulfonamide has a molecular weight of 224.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobuten-1-ylamino)benzenesulfonamide is sourced from PubChem (CID 151014054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).