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

C23H22ClN5O3S — CID 1177054

IUPACN-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C23H22ClN5O3S/c1-17-12-22(10-11-23(17)29-16-25-26-27-29)33(30,31)28(14-18-6-8-20(24)9-7-18)15-19-4-3-5-21(13-19)32-2/h3-13,16H,14-15H2,1-2H3
InChIKeyAUOPEDMWAXEHNB-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.02
Rot. Bonds8

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

N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1177054) has the molecular formula C23H22ClN5O3S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1177054
Molecular FormulaC23H22ClN5O3S
Molecular Weight483.98 g/mol
Exact Mass483.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C23H22ClN5O3S/c1-17-12-22(10-11-23(17)29-16-25-26-27-29)33(30,31)28(14-18-6-8-20(24)9-7-18)15-19-4-3-5-21(13-19)32-2/h3-13,16H,14-15H2,1-2H3
InChIKeyAUOPEDMWAXEHNB-UHFFFAOYSA-N
XLogP4.02
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177052
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 3189971
N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177003
1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442045
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1439526
4-[(3,4-difluorophenyl)methyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 25207453
N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 49189548
N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1452015
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442053
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 51687107
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18207405

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 1177054) is N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is COc1cccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is AUOPEDMWAXEHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3S/c1-17-12-22(10-11-23(17)29-16-25-26-27-29)33(30,31)28(14-18-6-8-20(24)9-7-18)15-19-4-3-5-21(13-19)32-2/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 483.98 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1177054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).