2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide

C18H19ClN6O3S — CID 24676066

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN6O3S/c1-2-16(25-23-17(22-24-25)13-5-7-14(19)8-6-13)18(26)21-15-9-3-12(4-10-15)11-29(20,27)28/h3-10,16H,2,11H2,1H3,(H,21,26)(H2,20,27,28)
InChIKeyZPBDQILQJFAEHO-UHFFFAOYSA-N
MW434.91 g/mol
LogP2.37
Rot. Bonds7

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide (PubChem CID 24676066) has the molecular formula C18H19ClN6O3S and a molecular weight of 434.91 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
PubChem CID24676066
Molecular FormulaC18H19ClN6O3S
Molecular Weight434.91 g/mol
Exact Mass434.09
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN6O3S/c1-2-16(25-23-17(22-24-25)13-5-7-14(19)8-6-13)18(26)21-15-9-3-12(4-10-15)11-29(20,27)28/h3-10,16H,2,11H2,1H3,(H,21,26)(H2,20,27,28)
InChIKeyZPBDQILQJFAEHO-UHFFFAOYSA-N
XLogP2.37
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]butanamide
CID 55978138
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 16567945
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
CID 55433773
3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]butanamide
CID 41133349
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 26971559
[2-(4-cyanoanilino)-2-oxoethyl] (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 51559315
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
propan-2-yl 3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoate
CID 51256542
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide (CID 24676066) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide is CCC(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide?
The InChIKey is ZPBDQILQJFAEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O3S/c1-2-16(25-23-17(22-24-25)13-5-7-14(19)8-6-13)18(26)21-15-9-3-12(4-10-15)11-29(20,27)28/h3-10,16H,2,11H2,1H3,(H,21,26)(H2,20,27,28).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide has a molecular weight of 434.91 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide is sourced from PubChem (CID 24676066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).