3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide

C22H21N5O4S — CID 3191963

IUPAC3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)c2ccccc2)cc1
InChIInChI=1S/C22H21N5O4S/c1-30-18-10-8-17(9-11-18)22(16-6-4-3-5-7-16)24-32(28,29)19-12-13-20(21(14-19)31-2)27-15-23-25-26-27/h3-15,22,24H,1-2H3
InChIKeyZJFKSPCBWCMPIP-UHFFFAOYSA-N
MW451.51 g/mol
LogP2.75
Rot. Bonds8

About 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide

3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 3191963) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID3191963
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)c2ccccc2)cc1
InChIInChI=1S/C22H21N5O4S/c1-30-18-10-8-17(9-11-18)22(16-6-4-3-5-7-16)24-32(28,29)19-12-13-20(21(14-19)31-2)27-15-23-25-26-27/h3-15,22,24H,1-2H3
InChIKeyZJFKSPCBWCMPIP-UHFFFAOYSA-N
XLogP2.75
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 51687107
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 3212817
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1428984
2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]-4-methylpentanamide
CID 16762172
3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322110
N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177003
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710992
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid
CID 16762018

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 3191963) is 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide is COc1ccc(C(NS(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)c2ccccc2)cc1.
What is the InChIKey of 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is ZJFKSPCBWCMPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-30-18-10-8-17(9-11-18)22(16-6-4-3-5-7-16)24-32(28,29)19-12-13-20(21(14-19)31-2)27-15-23-25-26-27/h3-15,22,24H,1-2H3.
What are the key properties of 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 451.51 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 3191963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).