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

C22H21N5O3S — CID 51687107

IUPACN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc([C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c2ccccc2)cc1
InChIInChI=1S/C22H21N5O3S/c1-16-14-20(12-13-21(16)27-15-23-25-26-27)31(28,29)24-22(17-6-4-3-5-7-17)18-8-10-19(30-2)11-9-18/h3-15,22,24H,1-2H3/t22-/m0/s1
InChIKeyVFZURQHQGZGTFV-QFIPXVFZSA-N
MW435.51 g/mol
LogP3.05
Rot. Bonds7

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

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 51687107) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID51687107
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc([C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c2ccccc2)cc1
InChIInChI=1S/C22H21N5O3S/c1-16-14-20(12-13-21(16)27-15-23-25-26-27)31(28,29)24-22(17-6-4-3-5-7-17)18-8-10-19(30-2)11-9-18/h3-15,22,24H,1-2H3/t22-/m0/s1
InChIKeyVFZURQHQGZGTFV-QFIPXVFZSA-N
XLogP3.05
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[(4-methoxyphenyl)-phenylmethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 3191963
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 23610235
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442045
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
CID 100697968
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442053
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
CID 5045129
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
N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177054

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 51687107) is N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is COc1ccc([C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is VFZURQHQGZGTFV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-16-14-20(12-13-21(16)27-15-23-25-26-27)31(28,29)24-22(17-6-4-3-5-7-17)18-8-10-19(30-2)11-9-18/h3-15,22,24H,1-2H3/t22-/m0/s1.
What are the key properties of N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 51687107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).