[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide

C15H18N2O3S — CID 115466302

IUPAC[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NC2CCCc3occc32)cc1
InChIInChI=1S/C15H18N2O3S/c16-21(18,19)10-11-4-6-12(7-5-11)17-14-2-1-3-15-13(14)8-9-20-15/h4-9,14,17H,1-3,10H2,(H2,16,18,19)
InChIKeyJOTMZCIPRIHKNM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.56
Rot. Bonds4

About [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide

[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide (PubChem CID 115466302) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide
PubChem CID115466302
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NC2CCCc3occc32)cc1
InChIInChI=1S/C15H18N2O3S/c16-21(18,19)10-11-4-6-12(7-5-11)17-14-2-1-3-15-13(14)8-9-20-15/h4-9,14,17H,1-3,10H2,(H2,16,18,19)
InChIKeyJOTMZCIPRIHKNM-UHFFFAOYSA-N
XLogP2.56
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
CID 115465939
N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466121
1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one
CID 115466360
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115465942
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115465981
N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208228
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 113315131
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepane-1-sulfonamide
CID 55571263
N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465919
N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466145
1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891853
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206

Frequently Asked Questions

What is the IUPAC name of [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide?
The IUPAC name of [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide (CID 115466302) is [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NC2CCCc3occc32)cc1.
What is the InChIKey of [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide?
The InChIKey is JOTMZCIPRIHKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-21(18,19)10-11-4-6-12(7-5-11)17-14-2-1-3-15-13(14)8-9-20-15/h4-9,14,17H,1-3,10H2,(H2,16,18,19).
What are the key properties of [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide?
[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 115466302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).