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

C21H19ClN6O2S — CID 58128995

IUPAC4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccn1)Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C21H19ClN6O2S/c22-18-8-10-20(11-9-18)31(29,30)28(14-12-19-3-1-2-13-23-19)15-16-4-6-17(7-5-16)21-24-26-27-25-21/h1-11,13H,12,14-15H2,(H,24,25,26,27)
InChIKeyRIBZASSELMLNLS-UHFFFAOYSA-N
MW454.94 g/mol
LogP3.35
Rot. Bonds8

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

4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 58128995) has the molecular formula C21H19ClN6O2S and a molecular weight of 454.94 g/mol. Its IUPAC name is 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
PubChem CID58128995
Molecular FormulaC21H19ClN6O2S
Molecular Weight454.94 g/mol
Exact Mass454.10
IUPAC Name4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccn1)Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C21H19ClN6O2S/c22-18-8-10-20(11-9-18)31(29,30)28(14-12-19-3-1-2-13-23-19)15-16-4-6-17(7-5-16)21-24-26-27-25-21/h1-11,13H,12,14-15H2,(H,24,25,26,27)
InChIKeyRIBZASSELMLNLS-UHFFFAOYSA-N
XLogP3.35
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-(pyridin-2-ylmethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
CID 46891424
N-benzyl-N-[(4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123162649
4-chloro-N-(4-chlorophenyl)-N-(2-pyridin-2-ylethyl)benzenesulfonamide chloride
CID 45108798
methyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzoate
CID 58128955
N-benzyl-4-chloro-2-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
CID 66930484
N-[1-(4-chlorophenyl)cyclopropyl]-4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzamide
CID 58128904
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-cyclopropylsulfonylbenzamide
CID 58129059
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827
3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide
CID 143874486
4-chloro-N-[[4-[2-(3-methylsulfonylpropylsulfonyl)acetyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 58129016
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide
CID 58128885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide (CID 58128995) is 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccn1)Cc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RIBZASSELMLNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2S/c22-18-8-10-20(11-9-18)31(29,30)28(14-12-19-3-1-2-13-23-19)15-16-4-6-17(7-5-16)21-24-26-27-25-21/h1-11,13H,12,14-15H2,(H,24,25,26,27).
What are the key properties of 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide?
4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 454.94 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyridin-2-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 58128995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).