N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

C24H23N5O3S — CID 1452015

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cccc(CN(c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C24H23N5O3S/c1-32-23-7-2-4-18(14-23)16-29(22-9-8-19-5-3-6-20(19)15-22)33(30,31)24-12-10-21(11-13-24)28-17-25-26-27-28/h2,4,7-15,17H,3,5-6,16H2,1H3
InChIKeyNVRYXPXPBWLHCY-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.56
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1452015) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1452015
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cccc(CN(c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1
InChIInChI=1S/C24H23N5O3S/c1-32-23-7-2-4-18(14-23)16-29(22-9-8-19-5-3-6-20(19)15-22)33(30,31)24-12-10-21(11-13-24)28-17-25-26-27-28/h2,4,7-15,17H,3,5-6,16H2,1H3
InChIKeyNVRYXPXPBWLHCY-UHFFFAOYSA-N
XLogP3.56
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 78766216
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022175
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(1,3-benzodioxol-5-yl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022171
N-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022697
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022176
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177054
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 3189971
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 1452015) is N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is COc1cccc(CN(c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is NVRYXPXPBWLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-32-23-7-2-4-18(14-23)16-29(22-9-8-19-5-3-6-20(19)15-22)33(30,31)24-12-10-21(11-13-24)28-17-25-26-27-28/h2,4,7-15,17H,3,5-6,16H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 461.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1452015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).