N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide

C18H17FN6O4S — CID 71791178

IUPACN-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide
SMILESO=C(Cn1nnn(-c2ccc(NS(=O)(=O)c3ccccc3F)cc2)c1=O)NC1CC1
InChIInChI=1S/C18H17FN6O4S/c19-15-3-1-2-4-16(15)30(28,29)21-13-7-9-14(10-8-13)25-18(27)24(22-23-25)11-17(26)20-12-5-6-12/h1-4,7-10,12,21H,5-6,11H2,(H,20,26)
InChIKeyYKYIYTJNMJYIMO-UHFFFAOYSA-N
MW432.44 g/mol
LogP0.65
Rot. Bonds7

About N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide

N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide (PubChem CID 71791178) has the molecular formula C18H17FN6O4S and a molecular weight of 432.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide
PubChem CID71791178
Molecular FormulaC18H17FN6O4S
Molecular Weight432.44 g/mol
Exact Mass432.10
IUPAC NameN-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide
SMILESO=C(Cn1nnn(-c2ccc(NS(=O)(=O)c3ccccc3F)cc2)c1=O)NC1CC1
InChIInChI=1S/C18H17FN6O4S/c19-15-3-1-2-4-16(15)30(28,29)21-13-7-9-14(10-8-13)25-18(27)24(22-23-25)11-17(26)20-12-5-6-12/h1-4,7-10,12,21H,5-6,11H2,(H,20,26)
InChIKeyYKYIYTJNMJYIMO-UHFFFAOYSA-N
XLogP0.65
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide
CID 71791172
3-(1,3-benzodioxol-5-yl)-N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]prop-2-enamide
CID 71960653
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 7983047
2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938967
4-[2-[4-[(2-fluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689846
2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid
CID 156506917
2-fluoro-N-[4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]benzenesulfonamide
CID 122255293
4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580823
1-cyclopropyl-3-[4-[(2,4-difluorophenyl)sulfonylamino]phenyl]urea
CID 134025769
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
3-[(2-fluorophenyl)sulfonylamino]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-5-carboxamide
CID 11607293
N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide
CID 24737498

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide (CID 71791178) is N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide is O=C(Cn1nnn(-c2ccc(NS(=O)(=O)c3ccccc3F)cc2)c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide?
The InChIKey is YKYIYTJNMJYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O4S/c19-15-3-1-2-4-16(15)30(28,29)21-13-7-9-14(10-8-13)25-18(27)24(22-23-25)11-17(26)20-12-5-6-12/h1-4,7-10,12,21H,5-6,11H2,(H,20,26).
What are the key properties of N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide?
N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide has a molecular weight of 432.44 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide is sourced from PubChem (CID 71791178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).