N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide

C21H17ClFN5O2S — CID 66930484

IUPACN-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1F)N(Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C21H17ClFN5O2S/c22-18-10-11-20(19(23)12-18)31(29,30)28(13-15-4-2-1-3-5-15)14-16-6-8-17(9-7-16)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27)
InChIKeyPEUOGJMQPOIJKO-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.05
Rot. Bonds7

About N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide

N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 66930484) has the molecular formula C21H17ClFN5O2S and a molecular weight of 457.92 g/mol. Its IUPAC name is N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
PubChem CID66930484
Molecular FormulaC21H17ClFN5O2S
Molecular Weight457.92 g/mol
Exact Mass457.08
IUPAC NameN-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1F)N(Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C21H17ClFN5O2S/c22-18-10-11-20(19(23)12-18)31(29,30)28(13-15-4-2-1-3-5-15)14-16-6-8-17(9-7-16)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27)
InChIKeyPEUOGJMQPOIJKO-UHFFFAOYSA-N
XLogP4.05
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]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-benzyl-N-[(4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123162649
4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
CID 58128995
[[2-chloro-4-[[(2-chloro-4-fluorophenyl)sulfonyl-[[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]methyl]phenyl]-difluoromethyl]phosphonic acid
CID 58663154
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 8801326
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole
CID 148675607
5-(3-chlorophenyl)-2H-tetrazole;5-(2-fluorophenyl)-2H-tetrazole;octakis(5-(4-methylphenyl)-2H-tetrazole);5-phenyl-2H-tetrazole
CID 159225872
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
4-cyano-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
CID 46891424
5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630
4-chloro-N-ethyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
CID 135735208
N-benzyl-4-(chloromethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79180404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide (CID 66930484) is N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1F)N(Cc1ccccc1)Cc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PEUOGJMQPOIJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O2S/c22-18-10-11-20(19(23)12-18)31(29,30)28(13-15-4-2-1-3-5-15)14-16-6-8-17(9-7-16)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27).
What are the key properties of N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 457.92 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 66930484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).