N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide

C18H18N6O4S — CID 3718806

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H18N6O4S/c25-18(14-2-1-3-16(12-14)24-13-19-21-22-24)20-15-4-6-17(7-5-15)29(26,27)23-8-10-28-11-9-23/h1-7,12-13H,8-11H2,(H,20,25)
InChIKeyCLCKXYUSQVVFGR-UHFFFAOYSA-N
MW414.45 g/mol
LogP0.94
Rot. Bonds5

About N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide

N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 3718806) has the molecular formula C18H18N6O4S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID3718806
Molecular FormulaC18H18N6O4S
Molecular Weight414.45 g/mol
Exact Mass414.11
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H18N6O4S/c25-18(14-2-1-3-16(12-14)24-13-19-21-22-24)20-15-4-6-17(7-5-15)29(26,27)23-8-10-28-11-9-23/h1-7,12-13H,8-11H2,(H,20,25)
InChIKeyCLCKXYUSQVVFGR-UHFFFAOYSA-N
XLogP0.94
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 4858188
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 42535906
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide (CID 3718806) is N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is CLCKXYUSQVVFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4S/c25-18(14-2-1-3-16(12-14)24-13-19-21-22-24)20-15-4-6-17(7-5-15)29(26,27)23-8-10-28-11-9-23/h1-7,12-13H,8-11H2,(H,20,25).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 414.45 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 3718806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).