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

C24H22ClN5O3S — CID 1451987

IUPACN-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccc3c(c2)CCC3)ccc1-n1cnnn1
InChIInChI=1S/C24H22ClN5O3S/c1-33-24-14-21(11-12-23(24)29-16-26-27-28-29)34(31,32)30(15-19-5-2-3-8-22(19)25)20-10-9-17-6-4-7-18(17)13-20/h2-3,5,8-14,16H,4,6-7,15H2,1H3
InChIKeyUFTSIURCWZBXHF-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.21
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1451987) has the molecular formula C24H22ClN5O3S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1451987
Molecular FormulaC24H22ClN5O3S
Molecular Weight495.99 g/mol
Exact Mass495.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccc3c(c2)CCC3)ccc1-n1cnnn1
InChIInChI=1S/C24H22ClN5O3S/c1-33-24-14-21(11-12-23(24)29-16-26-27-28-29)34(31,32)30(15-19-5-2-3-8-22(19)25)20-10-9-17-6-4-7-18(17)13-20/h2-3,5,8-14,16H,4,6-7,15H2,1H3
InChIKeyUFTSIURCWZBXHF-UHFFFAOYSA-N
XLogP4.21
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (CID 1451987) is N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is COc1cc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccc3c(c2)CCC3)ccc1-n1cnnn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is UFTSIURCWZBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S/c1-33-24-14-21(11-12-23(24)29-16-26-27-28-29)34(31,32)30(15-19-5-2-3-8-22(19)25)20-10-9-17-6-4-7-18(17)13-20/h2-3,5,8-14,16H,4,6-7,15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 495.99 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1451987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).