N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide

C17H20N2O3S — CID 75498368

IUPACN-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NC2Cc3ccccc3C2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-22-17-11-14(7-8-16(17)19-23(2,20)21)18-15-9-12-5-3-4-6-13(12)10-15/h3-8,11,15,18-19H,9-10H2,1-2H3
InChIKeyLYISPJJRDYKEDF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.65
Rot. Bonds5

About N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide

N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide (PubChem CID 75498368) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide
PubChem CID75498368
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NC2Cc3ccccc3C2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-22-17-11-14(7-8-16(17)19-23(2,20)21)18-15-9-12-5-3-4-6-13(12)10-15/h3-8,11,15,18-19H,9-10H2,1-2H3
InChIKeyLYISPJJRDYKEDF-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide
CID 24807240
N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]acetamide
CID 24807241
(3E,5E)-1-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(4-fluoro-2-methoxyphenyl)-2-methylidene-6-N-pent-1-en-2-ylhepta-3,5-diene-1,4,6-triamine
CID 156432995
(3E,5E)-1-cyclobutylidene-1-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(3-fluoro-5-methoxyphenyl)-2-propan-2-ylidenehepta-3,5-diene-1,4,6-triamine
CID 171832173
3-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]aniline
CID 28489278
N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 43512861
N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 43699014
N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 43699139
(Z)-3-(4-fluorophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]but-2-enamide
CID 56150459
N-[4-[1-(2-fluorophenyl)ethylamino]-2-methoxyphenyl]methanesulfonamide
CID 56788795
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 61516514
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 61516914

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide (CID 75498368) is N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide is COc1cc(NC2Cc3ccccc3C2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide?
The InChIKey is LYISPJJRDYKEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-22-17-11-14(7-8-16(17)19-23(2,20)21)18-15-9-12-5-3-4-6-13(12)10-15/h3-8,11,15,18-19H,9-10H2,1-2H3.
What are the key properties of N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide?
N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-2-ylamino)-2-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 75498368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).