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

C22H19ClFN5O2S — CID 1177052

IUPACN-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)ccc1-n1cnnn1
InChIInChI=1S/C22H19ClFN5O2S/c1-16-12-21(10-11-22(16)29-15-25-26-27-29)32(30,31)28(13-17-2-6-19(23)7-3-17)14-18-4-8-20(24)9-5-18/h2-12,15H,13-14H2,1H3
InChIKeyHHLYPFDOCVLERD-UHFFFAOYSA-N
MW471.95 g/mol
LogP4.15
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1177052) has the molecular formula C22H19ClFN5O2S and a molecular weight of 471.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1177052
Molecular FormulaC22H19ClFN5O2S
Molecular Weight471.95 g/mol
Exact Mass471.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)ccc1-n1cnnn1
InChIInChI=1S/C22H19ClFN5O2S/c1-16-12-21(10-11-22(16)29-15-25-26-27-29)32(30,31)28(13-17-2-6-19(23)7-3-17)14-18-4-8-20(24)9-5-18/h2-12,15H,13-14H2,1H3
InChIKeyHHLYPFDOCVLERD-UHFFFAOYSA-N
XLogP4.15
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177054
1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1435642
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1439526
N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177003
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18207405
N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 49189548
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042
ethyl 4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate
CID 4179232
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145
1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 23610585
3,5-dichloro-N-[[4-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 58531345
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442053

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 1177052) is N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(Cl)cc2)ccc1-n1cnnn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is HHLYPFDOCVLERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2S/c1-16-12-21(10-11-22(16)29-15-25-26-27-29)32(30,31)28(13-17-2-6-19(23)7-3-17)14-18-4-8-20(24)9-5-18/h2-12,15H,13-14H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 471.95 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1177052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).